N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

C25H26F2N8O3 — CID 170109657

IUPACN-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1c(Nc2cc(C(C)(F)F)n([C@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21
InChIInChI=1S/C25H26F2N8O3/c1-25(26,27)19-11-21(33-35(19)15-6-8-37-13-15)31-24-32-22-18(34(24)2)9-17(12-29-22)38-16-5-7-28-20(10-16)30-23(36)14-3-4-14/h5,7,9-12,14-15H,3-4,6,8,13H2,1-2H3,(H,28,30,36)(H,29,31,32,33)/t15-/m0/s1
InChIKeyNIAKHPHQPVCBTG-HNNXBMFYSA-N
MW524.53 g/mol
LogP4.52
Rot. Bonds8

About N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 170109657) has the molecular formula C25H26F2N8O3 and a molecular weight of 524.53 g/mol. Its IUPAC name is N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
PubChem CID170109657
Molecular FormulaC25H26F2N8O3
Molecular Weight524.53 g/mol
Exact Mass524.21
IUPAC NameN-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1c(Nc2cc(C(C)(F)F)n([C@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21
InChIInChI=1S/C25H26F2N8O3/c1-25(26,27)19-11-21(33-35(19)15-6-8-37-13-15)31-24-32-22-18(34(24)2)9-17(12-29-22)38-16-5-7-28-20(10-16)30-23(36)14-3-4-14/h5,7,9-12,14-15H,3-4,6,8,13H2,1-2H3,(H,28,30,36)(H,29,31,32,33)/t15-/m0/s1
InChIKeyNIAKHPHQPVCBTG-HNNXBMFYSA-N
XLogP4.52
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.53
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 170109657) is N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is Cn1c(Nc2cc(C(C)(F)F)n([C@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.
What is the InChIKey of N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is NIAKHPHQPVCBTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H26F2N8O3/c1-25(26,27)19-11-21(33-35(19)15-6-8-37-13-15)31-24-32-22-18(34(24)2)9-17(12-29-22)38-16-5-7-28-20(10-16)30-23(36)14-3-4-14/h5,7,9-12,14-15H,3-4,6,8,13H2,1-2H3,(H,28,30,36)(H,29,31,32,33)/t15-/m0/s1.
What are the key properties of N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 524.53 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 170109657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).