[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine

C18H15ClN6 — CID 66971152

IUPAC[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1
InChIInChI=1S/C18H15ClN6/c19-14-5-15-13(9-24-17(15)25-10-14)4-11-6-22-18(23-7-11)16(20)12-2-1-3-21-8-12/h1-3,5-10,16H,4,20H2,(H,24,25)
InChIKeyCLMUTMHFHLLRBX-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.04
Rot. Bonds4

About [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine

[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine (PubChem CID 66971152) has the molecular formula C18H15ClN6 and a molecular weight of 350.81 g/mol. Its IUPAC name is [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine
PubChem CID66971152
Molecular FormulaC18H15ClN6
Molecular Weight350.81 g/mol
Exact Mass350.10
IUPAC Name[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1
InChIInChI=1S/C18H15ClN6/c19-14-5-15-13(9-24-17(15)25-10-14)4-11-6-22-18(23-7-11)16(20)12-2-1-3-21-8-12/h1-3,5-10,16H,4,20H2,(H,24,25)
InChIKeyCLMUTMHFHLLRBX-UHFFFAOYSA-N
XLogP3.04
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine with MolForge

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Related Compounds

5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442139
[4-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanamine
CID 66970704
5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442053
5-chloro-3-[[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58258945
5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58338437
2-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-N,N-dimethylaniline
CID 58442077
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 54589335
3-[[6-[2-(6-bromo-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine
CID 58259158
5-chloro-3-[[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442231
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrimidin-2-amine
CID 67201463
N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 24951411
N-[(2,4-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 24951407

Frequently Asked Questions

What is the IUPAC name of [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine?
The IUPAC name of [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine (CID 66971152) is [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine.
What is the SMILES notation for [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine?
The canonical SMILES for [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine is NC(c1cccnc1)c1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1.
What is the InChIKey of [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine?
The InChIKey is CLMUTMHFHLLRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6/c19-14-5-15-13(9-24-17(15)25-10-14)4-11-6-22-18(23-7-11)16(20)12-2-1-3-21-8-12/h1-3,5-10,16H,4,20H2,(H,24,25).
What are the key properties of [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine?
[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine has a molecular weight of 350.81 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]-pyridin-3-ylmethanamine is sourced from PubChem (CID 66971152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).