6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine

C20H22ClN7O — CID 164625126

IUPAC6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine
SMILESCCOc1nc(Cl)cc2[nH]c(NCc3cc(C)c(-c4cn(C)nc4C)cn3)nc12
InChIInChI=1S/C20H22ClN7O/c1-5-29-19-18-16(7-17(21)25-19)24-20(26-18)23-8-13-6-11(2)14(9-22-13)15-10-28(4)27-12(15)3/h6-7,9-10H,5,8H2,1-4H3,(H2,23,24,26)
InChIKeyNMQDOCXFDSUOAL-UHFFFAOYSA-N
MW411.90 g/mol
LogP4.03
Rot. Bonds6

About 6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine

6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 164625126) has the molecular formula C20H22ClN7O and a molecular weight of 411.90 g/mol. Its IUPAC name is 6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine
PubChem CID164625126
Molecular FormulaC20H22ClN7O
Molecular Weight411.90 g/mol
Exact Mass411.16
IUPAC Name6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine
SMILESCCOc1nc(Cl)cc2[nH]c(NCc3cc(C)c(-c4cn(C)nc4C)cn3)nc12
InChIInChI=1S/C20H22ClN7O/c1-5-29-19-18-16(7-17(21)25-19)24-20(26-18)23-8-13-6-11(2)14(9-22-13)15-10-28(4)27-12(15)3/h6-7,9-10H,5,8H2,1-4H3,(H2,23,24,26)
InChIKeyNMQDOCXFDSUOAL-UHFFFAOYSA-N
XLogP4.03
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine (CID 164625126) is 6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine is CCOc1nc(Cl)cc2[nH]c(NCc3cc(C)c(-c4cn(C)nc4C)cn3)nc12.
What is the InChIKey of 6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is NMQDOCXFDSUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O/c1-5-29-19-18-16(7-17(21)25-19)24-20(26-18)23-8-13-6-11(2)14(9-22-13)15-10-28(4)27-12(15)3/h6-7,9-10H,5,8H2,1-4H3,(H2,23,24,26).
What are the key properties of 6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine?
6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 411.90 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 164625126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).