5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol

C21H22ClN7O — CID 168978277

About 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol

5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol (PubChem CID 168978277) has the molecular formula C21H22ClN7O and a molecular weight of 423.91 g/mol. Its IUPAC name is 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol.

Molecular Properties

• Compound Name: 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
• PubChem CID: 168978277
• Molecular Formula: C21H22ClN7O
• Molecular Weight: 423.91 g/mol
• Exact Mass: 423.16
• IUPAC Name: 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
• SMILES: CN[C@@H]1CCN(c2cnc3nc(-c4cc5cn(C)nc5c(C)c4O)cc(Cl)c3n2)C1
• InChI: InChI=1S/C21H22ClN7O/c1-11-18-12(9-28(3)27-18)6-14(20(11)30)16-7-15(22)19-21(25-16)24-8-17(26-19)29-5-4-13(10-29)23-2/h6-9,13,23,30H,4-5,10H2,1-3H3/t13-/m1/s1
• InChIKey: FMWPNMKMFGHWRH-CYBMUJFWSA-N
• XLogP: 3.04
• TPSA: 91.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.91
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol?

The IUPAC name of 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol (CID 168978277) is 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol.

What is the SMILES notation for 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol?

The canonical SMILES for 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol is CN[C@@H]1CCN(c2cnc3nc(-c4cc5cn(C)nc5c(C)c4O)cc(Cl)c3n2)C1.

What is the InChIKey of 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol?

The InChIKey is FMWPNMKMFGHWRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22ClN7O/c1-11-18-12(9-28(3)27-18)6-14(20(11)30)16-7-15(22)19-21(25-16)24-8-17(26-19)29-5-4-13(10-29)23-2/h6-9,13,23,30H,4-5,10H2,1-3H3/t13-/m1/s1.

What are the key properties of 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol?

5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol has a molecular weight of 423.91 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 168978277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).