N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine

C25H28ClN9O2 — CID 164560246

IUPACN-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine
SMILESCc1cc2ncc(Oc3cnc4nc(Nc5cc(C(C)(C)C)n([C@@H]6CCOC6)n5)n(C)c4c3Cl)cn2n1
InChIInChI=1S/C25H28ClN9O2/c1-14-8-20-27-10-16(12-34(20)31-14)37-17-11-28-23-22(21(17)26)33(5)24(30-23)29-19-9-18(25(2,3)4)35(32-19)15-6-7-36-13-15/h8-12,15H,6-7,13H2,1-5H3,(H,28,29,30,32)/t15-/m1/s1
InChIKeyPJPOTGVXVWOALH-OAHLLOKOSA-N
MW522.01 g/mol
LogP4.96
Rot. Bonds5

About N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine

N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine (PubChem CID 164560246) has the molecular formula C25H28ClN9O2 and a molecular weight of 522.01 g/mol. Its IUPAC name is N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine
PubChem CID164560246
Molecular FormulaC25H28ClN9O2
Molecular Weight522.01 g/mol
Exact Mass521.21
IUPAC NameN-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine
SMILESCc1cc2ncc(Oc3cnc4nc(Nc5cc(C(C)(C)C)n([C@@H]6CCOC6)n5)n(C)c4c3Cl)cn2n1
InChIInChI=1S/C25H28ClN9O2/c1-14-8-20-27-10-16(12-34(20)31-14)37-17-11-28-23-22(21(17)26)33(5)24(30-23)29-19-9-18(25(2,3)4)35(32-19)15-6-7-36-13-15/h8-12,15H,6-7,13H2,1-5H3,(H,28,29,30,32)/t15-/m1/s1
InChIKeyPJPOTGVXVWOALH-OAHLLOKOSA-N
XLogP4.96
TPSA109.21 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.01
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
US20240018157, Example 111
CID 156539401
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
US11691963, Example I-147
CID 157041760

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine (CID 164560246) is N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine is Cc1cc2ncc(Oc3cnc4nc(Nc5cc(C(C)(C)C)n([C@@H]6CCOC6)n5)n(C)c4c3Cl)cn2n1.
What is the InChIKey of N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine?
The InChIKey is PJPOTGVXVWOALH-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H28ClN9O2/c1-14-8-20-27-10-16(12-34(20)31-14)37-17-11-28-23-22(21(17)26)33(5)24(30-23)29-19-9-18(25(2,3)4)35(32-19)15-6-7-36-13-15/h8-12,15H,6-7,13H2,1-5H3,(H,28,29,30,32)/t15-/m1/s1.
What are the key properties of N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine?
N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine has a molecular weight of 522.01 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-chloro-1-methyl-6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxyimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164560246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).