4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine

C21H23Cl2N7 — CID 176566176

IUPAC4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine
SMILESCc1cn2cc(Nc3n[nH]c4cc(N5C[C@H](C)N[C@@H](C)C5)cc(Cl)c34)cc(Cl)c2n1
InChIInChI=1S/C21H23Cl2N7/c1-11-7-29(8-12(2)24-11)15-5-16(22)19-18(6-15)27-28-20(19)26-14-4-17(23)21-25-13(3)9-30(21)10-14/h4-6,9-12,24H,7-8H2,1-3H3,(H2,26,27,28)/t11-,12-/m0/s1
InChIKeyBNFYNVNHLYIFCW-RYUDHWBXSA-N
MW444.37 g/mol
LogP4.76
Rot. Bonds3

About 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine

4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine (PubChem CID 176566176) has the molecular formula C21H23Cl2N7 and a molecular weight of 444.37 g/mol. Its IUPAC name is 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine
PubChem CID176566176
Molecular FormulaC21H23Cl2N7
Molecular Weight444.37 g/mol
Exact Mass443.14
IUPAC Name4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine
SMILESCc1cn2cc(Nc3n[nH]c4cc(N5C[C@H](C)N[C@@H](C)C5)cc(Cl)c34)cc(Cl)c2n1
InChIInChI=1S/C21H23Cl2N7/c1-11-7-29(8-12(2)24-11)15-5-16(22)19-18(6-15)27-28-20(19)26-14-4-17(23)21-25-13(3)9-30(21)10-14/h4-6,9-12,24H,7-8H2,1-3H3,(H2,26,27,28)/t11-,12-/m0/s1
InChIKeyBNFYNVNHLYIFCW-RYUDHWBXSA-N
XLogP4.76
TPSA73.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine?
The IUPAC name of 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine (CID 176566176) is 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine.
What is the SMILES notation for 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine?
The canonical SMILES for 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine is Cc1cn2cc(Nc3n[nH]c4cc(N5C[C@H](C)N[C@@H](C)C5)cc(Cl)c34)cc(Cl)c2n1.
What is the InChIKey of 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine?
The InChIKey is BNFYNVNHLYIFCW-RYUDHWBXSA-N. The full InChI is InChI=1S/C21H23Cl2N7/c1-11-7-29(8-12(2)24-11)15-5-16(22)19-18(6-15)27-28-20(19)26-14-4-17(23)21-25-13(3)9-30(21)10-14/h4-6,9-12,24H,7-8H2,1-3H3,(H2,26,27,28)/t11-,12-/m0/s1.
What are the key properties of 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine?
4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine has a molecular weight of 444.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine is sourced from PubChem (CID 176566176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).