N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C27H33ClFN9O2 — CID 157042517

IUPACN-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n([C@H]5CCN(CCF)C5)n4)n(C)c3c2Cl)ccn1
InChIInChI=1S/C27H33ClFN9O2/c1-16(39)32-21-12-18(6-9-30-21)40-19-14-31-25-24(23(19)28)36(5)26(34-25)33-22-13-20(27(2,3)4)38(35-22)17-7-10-37(15-17)11-8-29/h6,9,12-14,17H,7-8,10-11,15H2,1-5H3,(H,30,32,39)(H,31,33,34,35)/t17-/m0/s1
InChIKeyFCVNJTBHQJBGTK-KRWDZBQOSA-N
MW570.07 g/mol
LogP5.22
Rot. Bonds8

About N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157042517) has the molecular formula C27H33ClFN9O2 and a molecular weight of 570.07 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID157042517
Molecular FormulaC27H33ClFN9O2
Molecular Weight570.07 g/mol
Exact Mass569.24
IUPAC NameN-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n([C@H]5CCN(CCF)C5)n4)n(C)c3c2Cl)ccn1
InChIInChI=1S/C27H33ClFN9O2/c1-16(39)32-21-12-18(6-9-30-21)40-19-14-31-25-24(23(19)28)36(5)26(34-25)33-22-13-20(27(2,3)4)38(35-22)17-7-10-37(15-17)11-8-29/h6,9,12-14,17H,7-8,10-11,15H2,1-5H3,(H,30,32,39)(H,31,33,34,35)/t17-/m0/s1
InChIKeyFCVNJTBHQJBGTK-KRWDZBQOSA-N
XLogP5.22
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.07
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-N'-{2-chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}urea
CID 52949957
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[[2-(dimethylamino)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-2-fluorophenyl]urea
CID 46900267
US20240018157, Example 198
CID 156539438
US20240018157, Example 63
CID 156563670
US11691963, Example I-172-b
CID 157041513
US11691963, Example I-180
CID 157041579
US11691963, Example I-134
CID 157041607
US11691963, Example I-160
CID 157041682
US11691963, Example I-179
CID 157041714
US11691963, Example I-152
CID 157041729
US11691963, Example I-184
CID 157041734
US11691963, Example I-161
CID 157041755

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 157042517) is N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-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-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n([C@H]5CCN(CCF)C5)n4)n(C)c3c2Cl)ccn1.
What is the InChIKey of N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is FCVNJTBHQJBGTK-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H33ClFN9O2/c1-16(39)32-21-12-18(6-9-30-21)40-19-14-31-25-24(23(19)28)36(5)26(34-25)33-22-13-20(27(2,3)4)38(35-22)17-7-10-37(15-17)11-8-29/h6,9,12-14,17H,7-8,10-11,15H2,1-5H3,(H,30,32,39)(H,31,33,34,35)/t17-/m0/s1.
What are the key properties of N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[[5-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 570.07 g/mol, XLogP of 5.22, 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-tert-butyl-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157042517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).