7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C29H22ClFN8 — CID 68666267

IUPAC7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2c(-c3ccncc3)nn3c(-c4ccc(N5C[C@@H]6C[C@H]5CN6)cc4Cl)ccnc23)c2cn[nH]c12
InChIInChI=1S/C29H22ClFN8/c30-23-12-18(38-15-17-11-19(38)13-34-17)1-2-21(23)25-7-10-33-29-26(20-3-4-24(31)28-22(20)14-35-36-28)27(37-39(25)29)16-5-8-32-9-6-16/h1-10,12,14,17,19,34H,11,13,15H2,(H,35,36)/t17-,19-/m0/s1
InChIKeyWQYJJNKSXFEMFE-HKUYNNGSSA-N
MW537.00 g/mol
LogP5.34
Rot. Bonds4

About 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 68666267) has the molecular formula C29H22ClFN8 and a molecular weight of 537.00 g/mol. Its IUPAC name is 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID68666267
Molecular FormulaC29H22ClFN8
Molecular Weight537.00 g/mol
Exact Mass536.16
IUPAC Name7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2c(-c3ccncc3)nn3c(-c4ccc(N5C[C@@H]6C[C@H]5CN6)cc4Cl)ccnc23)c2cn[nH]c12
InChIInChI=1S/C29H22ClFN8/c30-23-12-18(38-15-17-11-19(38)13-34-17)1-2-21(23)25-7-10-33-29-26(20-3-4-24(31)28-22(20)14-35-36-28)27(37-39(25)29)16-5-8-32-9-6-16/h1-10,12,14,17,19,34H,11,13,15H2,(H,35,36)/t17-,19-/m0/s1
InChIKeyWQYJJNKSXFEMFE-HKUYNNGSSA-N
XLogP5.34
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.00
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 68666267) is 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Fc1ccc(-c2c(-c3ccncc3)nn3c(-c4ccc(N5C[C@@H]6C[C@H]5CN6)cc4Cl)ccnc23)c2cn[nH]c12.
What is the InChIKey of 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WQYJJNKSXFEMFE-HKUYNNGSSA-N. The full InChI is InChI=1S/C29H22ClFN8/c30-23-12-18(38-15-17-11-19(38)13-34-17)1-2-21(23)25-7-10-33-29-26(20-3-4-24(31)28-22(20)14-35-36-28)27(37-39(25)29)16-5-8-32-9-6-16/h1-10,12,14,17,19,34H,11,13,15H2,(H,35,36)/t17-,19-/m0/s1.
What are the key properties of 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 537.00 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 68666267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).