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

C28H35F2N9O2 — CID 157041832

IUPACN-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5CCN(C)CC5(F)F)n4)n(C)c3c2)ccn1
InChIInChI=1S/C28H35F2N9O2/c1-17(40)33-23-12-19(7-9-31-23)41-20-11-21-25(32-14-20)35-26(38(21)6)34-24-13-22(27(2,3)4)39(36-24)15-18-8-10-37(5)16-28(18,29)30/h7,9,11-14,18H,8,10,15-16H2,1-6H3,(H,31,33,40)(H,32,34,35,36)/t18-/m1/s1
InChIKeyGSLIEXXPBJDJRY-GOSISDBHSA-N
MW567.65 g/mol
LogP4.94
Rot. Bonds7

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

N-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157041832) has the molecular formula C28H35F2N9O2 and a molecular weight of 567.65 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID157041832
Molecular FormulaC28H35F2N9O2
Molecular Weight567.65 g/mol
Exact Mass567.29
IUPAC NameN-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5CCN(C)CC5(F)F)n4)n(C)c3c2)ccn1
InChIInChI=1S/C28H35F2N9O2/c1-17(40)33-23-12-19(7-9-31-23)41-20-11-21-25(32-14-20)35-26(38(21)6)34-24-13-22(27(2,3)4)39(36-24)15-18-8-10-37(5)16-28(18,29)30/h7,9,11-14,18H,8,10,15-16H2,1-6H3,(H,31,33,40)(H,32,34,35,36)/t18-/m1/s1
InChIKeyGSLIEXXPBJDJRY-GOSISDBHSA-N
XLogP4.94
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.65
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[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-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 157041832) is N-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5CCN(C)CC5(F)F)n4)n(C)c3c2)ccn1.
What is the InChIKey of N-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is GSLIEXXPBJDJRY-GOSISDBHSA-N. The full InChI is InChI=1S/C28H35F2N9O2/c1-17(40)33-23-12-19(7-9-31-23)41-20-11-21-25(32-14-20)35-26(38(21)6)34-24-13-22(27(2,3)4)39(36-24)15-18-8-10-37(5)16-28(18,29)30/h7,9,11-14,18H,8,10,15-16H2,1-6H3,(H,31,33,40)(H,32,34,35,36)/t18-/m1/s1.
What are the key properties of N-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 567.65 g/mol, XLogP of 4.94, 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-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157041832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).