N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

C27H33FN6O2 — CID 134325461

IUPACN-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCOCCN1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)c2)CC1
InChIInChI=1S/C27H33FN6O2/c1-18-11-26(28)25(27(35)32-20-3-4-20)13-24(18)19-14-30-34(17-19)23-12-22(15-29-16-23)31-21-5-7-33(8-6-21)9-10-36-2/h11-17,20-21,31H,3-10H2,1-2H3,(H,32,35)
InChIKeyGTCIWCSHZXOKPE-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.80
Rot. Bonds9

About N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134325461) has the molecular formula C27H33FN6O2 and a molecular weight of 492.60 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID134325461
Molecular FormulaC27H33FN6O2
Molecular Weight492.60 g/mol
Exact Mass492.26
IUPAC NameN-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCOCCN1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)c2)CC1
InChIInChI=1S/C27H33FN6O2/c1-18-11-26(28)25(27(35)32-20-3-4-20)13-24(18)19-14-30-34(17-19)23-12-22(15-29-16-23)31-21-5-7-33(8-6-21)9-10-36-2/h11-17,20-21,31H,3-10H2,1-2H3,(H,32,35)
InChIKeyGTCIWCSHZXOKPE-UHFFFAOYSA-N
XLogP3.80
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (CID 134325461) is N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is COCCN1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)c2)CC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is GTCIWCSHZXOKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O2/c1-18-11-26(28)25(27(35)32-20-3-4-20)13-24(18)19-14-30-34(17-19)23-12-22(15-29-16-23)31-21-5-7-33(8-6-21)9-10-36-2/h11-17,20-21,31H,3-10H2,1-2H3,(H,32,35).
What are the key properties of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 492.60 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).