4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol

C19H22N4O — CID 66888458

IUPAC4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCc1cc(-c2c[nH]c3ncccc23)cc(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H22N4O/c1-12-9-13(17-11-21-19-16(17)3-2-8-20-19)10-18(22-12)23-14-4-6-15(24)7-5-14/h2-3,8-11,14-15,24H,4-7H2,1H3,(H,20,21)(H,22,23)
InChIKeyLREADVAQGARKQU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.65
Rot. Bonds3

About 4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol

4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 66888458) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID66888458
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCc1cc(-c2c[nH]c3ncccc23)cc(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H22N4O/c1-12-9-13(17-11-21-19-16(17)3-2-8-20-19)10-18(22-12)23-14-4-6-15(24)7-5-14/h2-3,8-11,14-15,24H,4-7H2,1H3,(H,20,21)(H,22,23)
InChIKeyLREADVAQGARKQU-UHFFFAOYSA-N
XLogP3.65
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol (CID 66888458) is 4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol is Cc1cc(-c2c[nH]c3ncccc23)cc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is LREADVAQGARKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-9-13(17-11-21-19-16(17)3-2-8-20-19)10-18(22-12)23-14-4-6-15(24)7-5-14/h2-3,8-11,14-15,24H,4-7H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 322.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 66888458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).