N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C27H34N8O3 — CID 167271446

IUPACN-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5CCOC5)n4)n(C)c3c2C)ccn1
InChIInChI=1S/C27H34N8O3/c1-16-20(38-19-7-9-28-22(11-19)30-17(2)36)13-29-25-24(16)34(6)26(32-25)31-23-12-21(27(3,4)5)35(33-23)14-18-8-10-37-15-18/h7,9,11-13,18H,8,10,14-15H2,1-6H3,(H,28,30,36)(H,29,31,32,33)/t18-/m1/s1
InChIKeyWEROXLVCJWIFSQ-GOSISDBHSA-N
MW518.62 g/mol
LogP4.70
Rot. Bonds7

About N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 167271446) has the molecular formula C27H34N8O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID167271446
Molecular FormulaC27H34N8O3
Molecular Weight518.62 g/mol
Exact Mass518.28
IUPAC NameN-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5CCOC5)n4)n(C)c3c2C)ccn1
InChIInChI=1S/C27H34N8O3/c1-16-20(38-19-7-9-28-22(11-19)30-17(2)36)13-29-25-24(16)34(6)26(32-25)31-23-12-21(27(3,4)5)35(33-23)14-18-8-10-37-15-18/h7,9,11-13,18H,8,10,14-15H2,1-6H3,(H,28,30,36)(H,29,31,32,33)/t18-/m1/s1
InChIKeyWEROXLVCJWIFSQ-GOSISDBHSA-N
XLogP4.70
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 167271446) is N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5CCOC5)n4)n(C)c3c2C)ccn1.
What is the InChIKey of N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is WEROXLVCJWIFSQ-GOSISDBHSA-N. The full InChI is InChI=1S/C27H34N8O3/c1-16-20(38-19-7-9-28-22(11-19)30-17(2)36)13-29-25-24(16)34(6)26(32-25)31-23-12-21(27(3,4)5)35(33-23)14-18-8-10-37-15-18/h7,9,11-13,18H,8,10,14-15H2,1-6H3,(H,28,30,36)(H,29,31,32,33)/t18-/m1/s1.
What are the key properties of N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 518.62 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-tert-butyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 167271446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).