N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

C23H22ClN5 — CID 86292046

IUPACN-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCNC3)cc12
InChIInChI=1S/C23H22ClN5/c24-19-6-7-21(27-13-15-4-2-1-3-5-15)29-22(19)17-9-11-26-23-18(17)12-20(28-23)16-8-10-25-14-16/h1-7,9,11-12,16,25H,8,10,13-14H2,(H,26,28)(H,27,29)
InChIKeyOMTCYVOOELOTSO-UHFFFAOYSA-N
MW403.92 g/mol
LogP4.97
Rot. Bonds5

About N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86292046) has the molecular formula C23H22ClN5 and a molecular weight of 403.92 g/mol. Its IUPAC name is N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86292046
Molecular FormulaC23H22ClN5
Molecular Weight403.92 g/mol
Exact Mass403.16
IUPAC NameN-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCNC3)cc12
InChIInChI=1S/C23H22ClN5/c24-19-6-7-21(27-13-15-4-2-1-3-5-15)29-22(19)17-9-11-26-23-18(17)12-20(28-23)16-8-10-25-14-16/h1-7,9,11-12,16,25H,8,10,13-14H2,(H,26,28)(H,27,29)
InChIKeyOMTCYVOOELOTSO-UHFFFAOYSA-N
XLogP4.97
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86292046) is N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCNC3)cc12.
What is the InChIKey of N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is OMTCYVOOELOTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5/c24-19-6-7-21(27-13-15-4-2-1-3-5-15)29-22(19)17-9-11-26-23-18(17)12-20(28-23)16-8-10-25-14-16/h1-7,9,11-12,16,25H,8,10,13-14H2,(H,26,28)(H,27,29).
What are the key properties of N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 403.92 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-6-(2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86292046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).