N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

C23H29N5O — CID 86292428

IUPACN-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESc1cc(NCC2CCOCC2)nc(-c2ccnc3[nH]c(C4CCNCC4)cc23)c1
InChIInChI=1S/C23H29N5O/c1-2-20(27-22(3-1)26-15-16-7-12-29-13-8-16)18-6-11-25-23-19(18)14-21(28-23)17-4-9-24-10-5-17/h1-3,6,11,14,16-17,24H,4-5,7-10,12-13,15H2,(H,25,28)(H,26,27)
InChIKeyRLFBKWJWTVRCQF-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.93
Rot. Bonds5

About N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86292428) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86292428
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESc1cc(NCC2CCOCC2)nc(-c2ccnc3[nH]c(C4CCNCC4)cc23)c1
InChIInChI=1S/C23H29N5O/c1-2-20(27-22(3-1)26-15-16-7-12-29-13-8-16)18-6-11-25-23-19(18)14-21(28-23)17-4-9-24-10-5-17/h1-3,6,11,14,16-17,24H,4-5,7-10,12-13,15H2,(H,25,28)(H,26,27)
InChIKeyRLFBKWJWTVRCQF-UHFFFAOYSA-N
XLogP3.93
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86292428) is N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is c1cc(NCC2CCOCC2)nc(-c2ccnc3[nH]c(C4CCNCC4)cc23)c1.
What is the InChIKey of N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is RLFBKWJWTVRCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-2-20(27-22(3-1)26-15-16-7-12-29-13-8-16)18-6-11-25-23-19(18)14-21(28-23)17-4-9-24-10-5-17/h1-3,6,11,14,16-17,24H,4-5,7-10,12-13,15H2,(H,25,28)(H,26,27).
What are the key properties of N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 391.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86292428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).