N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide

C72H81F2N17O3 — CID 161171307

IUPACN-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@@H]3CCN(C)C[C@@H]3F)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N3CCN(C)CC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NCC3CC3)c2)c1
InChIInChI=1S/C25H28F2N6O.C24H28N6O.C23H25N5O/c1-15-7-22(26)21(25(34)31-17-3-4-17)9-20(15)16-10-29-33(13-16)19-8-18(11-28-12-19)30-24-5-6-32(2)14-23(24)27;1-17-3-4-18(24(31)27-20-5-6-20)11-23(17)19-13-26-30(16-19)22-12-21(14-25-15-22)29-9-7-28(2)8-10-29;1-15-2-5-17(23(29)27-19-6-7-19)8-22(15)18-11-26-28(14-18)21-9-20(12-24-13-21)25-10-16-3-4-16/h7-13,17,23-24,30H,3-6,14H2,1-2H3,(H,31,34);3-4,11-16,20H,5-10H2,1-2H3,(H,27,31);2,5,8-9,11-14,16,19,25H,3-4,6-7,10H2,1H3,(H,27,29)/t23-,24+;;/m0../s1
InChIKeyURFFAKXQNICHLY-MOTLJVIHSA-N
MW1270.55 g/mol
LogP10.57
Rot. Bonds18

About N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 161171307) has the molecular formula C72H81F2N17O3 and a molecular weight of 1270.55 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID161171307
Molecular FormulaC72H81F2N17O3
Molecular Weight1270.55 g/mol
Exact Mass1269.67
IUPAC NameN-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@@H]3CCN(C)C[C@@H]3F)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N3CCN(C)CC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NCC3CC3)c2)c1
InChIInChI=1S/C25H28F2N6O.C24H28N6O.C23H25N5O/c1-15-7-22(26)21(25(34)31-17-3-4-17)9-20(15)16-10-29-33(13-16)19-8-18(11-28-12-19)30-24-5-6-32(2)14-23(24)27;1-17-3-4-18(24(31)27-20-5-6-20)11-23(17)19-13-26-30(16-19)22-12-21(14-25-15-22)29-9-7-28(2)8-10-29;1-15-2-5-17(23(29)27-19-6-7-19)8-22(15)18-11-26-28(14-18)21-9-20(12-24-13-21)25-10-16-3-4-16/h7-13,17,23-24,30H,3-6,14H2,1-2H3,(H,31,34);3-4,11-16,20H,5-10H2,1-2H3,(H,27,31);2,5,8-9,11-14,16,19,25H,3-4,6-7,10H2,1H3,(H,27,29)/t23-,24+;;/m0../s1
InChIKeyURFFAKXQNICHLY-MOTLJVIHSA-N
XLogP10.57
TPSA213.21 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001270.55
LogP ≤ 510.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide with MolForge

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Related Compounds

US10138222, Example 105
CID 134325382
US10138222, Example 77
CID 134325344
US10138222, Example 174
CID 134325440
US10138222, Example 175
CID 134325451
US10138222, Example 176
CID 134325497
US10138222, Example 169
CID 134335691
US10138222, Example 170
CID 134335692
US10138222, Example 171
CID 134335693
US10138222, Example 76
CID 134325328
US10138222, Example 167
CID 134325457
US10138222, Example 158
CID 134325332
US10138222, Example 144
CID 134325389

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide (CID 161171307) is N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@@H]3CCN(C)C[C@@H]3F)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N3CCN(C)CC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NCC3CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is URFFAKXQNICHLY-MOTLJVIHSA-N. The full InChI is InChI=1S/C25H28F2N6O.C24H28N6O.C23H25N5O/c1-15-7-22(26)21(25(34)31-17-3-4-17)9-20(15)16-10-29-33(13-16)19-8-18(11-28-12-19)30-24-5-6-32(2)14-23(24)27;1-17-3-4-18(24(31)27-20-5-6-20)11-23(17)19-13-26-30(16-19)22-12-21(14-25-15-22)29-9-7-28(2)8-10-29;1-15-2-5-17(23(29)27-19-6-7-19)8-22(15)18-11-26-28(14-18)21-9-20(12-24-13-21)25-10-16-3-4-16/h7-13,17,23-24,30H,3-6,14H2,1-2H3,(H,31,34);3-4,11-16,20H,5-10H2,1-2H3,(H,27,31);2,5,8-9,11-14,16,19,25H,3-4,6-7,10H2,1H3,(H,27,29)/t23-,24+;;/m0../s1.
What are the key properties of N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 1270.55 g/mol, XLogP of 10.57, 18 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 161171307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).