N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide

C27H31FN6O2 — CID 134325340

IUPACN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4COC4)CC3)c2)c1
InChIInChI=1S/C27H31FN6O2/c1-17-8-26(28)25(27(35)32-19-2-3-19)10-24(17)18-11-30-34(14-18)22-9-21(12-29-13-22)31-20-4-6-33(7-5-20)23-15-36-16-23/h8-14,19-20,23,31H,2-7,15-16H2,1H3,(H,32,35)
InChIKeyWLCCDXBLBQZFRE-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.55
Rot. Bonds7

About N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325340) has the molecular formula C27H31FN6O2 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325340
Molecular FormulaC27H31FN6O2
Molecular Weight490.58 g/mol
Exact Mass490.25
IUPAC NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4COC4)CC3)c2)c1
InChIInChI=1S/C27H31FN6O2/c1-17-8-26(28)25(27(35)32-19-2-3-19)10-24(17)18-11-30-34(14-18)22-9-21(12-29-13-22)31-20-4-6-33(7-5-20)23-15-36-16-23/h8-14,19-20,23,31H,2-7,15-16H2,1H3,(H,32,35)
InChIKeyWLCCDXBLBQZFRE-UHFFFAOYSA-N
XLogP3.55
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.55
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-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325340) is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4COC4)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is WLCCDXBLBQZFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O2/c1-17-8-26(28)25(27(35)32-19-2-3-19)10-24(17)18-11-30-34(14-18)22-9-21(12-29-13-22)31-20-4-6-33(7-5-20)23-15-36-16-23/h8-14,19-20,23,31H,2-7,15-16H2,1H3,(H,32,35).
What are the key properties of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 490.58 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).