4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine

C20H22ClN7O — CID 176566489

IUPAC4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
SMILESCOc1cc2nc(C)cn2cc1Nc1n[nH]c2cc(N3CCNCC3)cc(Cl)c12
InChIInChI=1S/C20H22ClN7O/c1-12-10-28-11-16(17(29-2)9-18(28)23-12)24-20-19-14(21)7-13(8-15(19)25-26-20)27-5-3-22-4-6-27/h7-11,22H,3-6H2,1-2H3,(H2,24,25,26)
InChIKeyDTGZYPKNTKNHTL-UHFFFAOYSA-N
MW411.90 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine

4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine (PubChem CID 176566489) has the molecular formula C20H22ClN7O and a molecular weight of 411.90 g/mol. Its IUPAC name is 4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
PubChem CID176566489
Molecular FormulaC20H22ClN7O
Molecular Weight411.90 g/mol
Exact Mass411.16
IUPAC Name4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
SMILESCOc1cc2nc(C)cn2cc1Nc1n[nH]c2cc(N3CCNCC3)cc(Cl)c12
InChIInChI=1S/C20H22ClN7O/c1-12-10-28-11-16(17(29-2)9-18(28)23-12)24-20-19-14(21)7-13(8-15(19)25-26-20)27-5-3-22-4-6-27/h7-11,22H,3-6H2,1-2H3,(H2,24,25,26)
InChIKeyDTGZYPKNTKNHTL-UHFFFAOYSA-N
XLogP3.33
TPSA82.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine?
The IUPAC name of 4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine (CID 176566489) is 4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine.
What is the SMILES notation for 4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine?
The canonical SMILES for 4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine is COc1cc2nc(C)cn2cc1Nc1n[nH]c2cc(N3CCNCC3)cc(Cl)c12.
What is the InChIKey of 4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine?
The InChIKey is DTGZYPKNTKNHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O/c1-12-10-28-11-16(17(29-2)9-18(28)23-12)24-20-19-14(21)7-13(8-15(19)25-26-20)27-5-3-22-4-6-27/h7-11,22H,3-6H2,1-2H3,(H2,24,25,26).
What are the key properties of 4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine?
4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine has a molecular weight of 411.90 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine is sourced from PubChem (CID 176566489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).