N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide

C25H28FN5O2 — CID 134335694

IUPACN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCN(C)C3)c2)c1
InChIInChI=1S/C25H28FN5O2/c1-16-7-24(26)23(25(32)29-19-3-4-19)9-22(16)18-10-28-31(14-18)20-8-21(12-27-11-20)33-15-17-5-6-30(2)13-17/h7-12,14,17,19H,3-6,13,15H2,1-2H3,(H,29,32)
InChIKeyHSADOPRBLMFIQN-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.60
Rot. Bonds7

About N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134335694) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134335694
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCN(C)C3)c2)c1
InChIInChI=1S/C25H28FN5O2/c1-16-7-24(26)23(25(32)29-19-3-4-19)9-22(16)18-10-28-31(14-18)20-8-21(12-27-11-20)33-15-17-5-6-30(2)13-17/h7-12,14,17,19H,3-6,13,15H2,1-2H3,(H,29,32)
InChIKeyHSADOPRBLMFIQN-UHFFFAOYSA-N
XLogP3.60
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[5-(5,6-Dimethoxy-3-pyridyl)-1-oxo-isoindolin-2-yl]pyrazol-1-yl]acetonitrile
CID 53327266
US10138222, Example 25
CID 134325345
US10138222, Example 26
CID 134325408
US10138222, Example 147
CID 134325324
US10138222, Example 96
CID 134325352
US10138222, Example 95
CID 134325359
US10138222, Example 27
CID 134325360
US10138222, Example 36
CID 134325385
US10138222, Example 28
CID 134325388
US10138222, Example 152
CID 134325393
US10138222, Example 146
CID 134325397
US10138222, Example 151
CID 134325399

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134335694) is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCN(C)C3)c2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is HSADOPRBLMFIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-16-7-24(26)23(25(32)29-19-3-4-19)9-22(16)18-10-28-31(14-18)20-8-21(12-27-11-20)33-15-17-5-6-30(2)13-17/h7-12,14,17,19H,3-6,13,15H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134335694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).