[4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine

C12H17N5 — CID 105489955

IUPAC[4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine
SMILESCN1CCCC1c1nc(CN)cc2[nH]cnc12
InChIInChI=1S/C12H17N5/c1-17-4-2-3-10(17)12-11-9(14-7-15-11)5-8(6-13)16-12/h5,7,10H,2-4,6,13H2,1H3,(H,14,15)
InChIKeyPBLWIAOIUGMWKC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.18
Rot. Bonds2

About [4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine

[4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine (PubChem CID 105489955) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is [4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine
PubChem CID105489955
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name[4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine
SMILESCN1CCCC1c1nc(CN)cc2[nH]cnc12
InChIInChI=1S/C12H17N5/c1-17-4-2-3-10(17)12-11-9(14-7-15-11)5-8(6-13)16-12/h5,7,10H,2-4,6,13H2,1H3,(H,14,15)
InChIKeyPBLWIAOIUGMWKC-UHFFFAOYSA-N
XLogP1.18
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine?
The IUPAC name of [4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine (CID 105489955) is [4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine.
What is the SMILES notation for [4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine?
The canonical SMILES for [4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine is CN1CCCC1c1nc(CN)cc2[nH]cnc12.
What is the InChIKey of [4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine?
The InChIKey is PBLWIAOIUGMWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-17-4-2-3-10(17)12-11-9(14-7-15-11)5-8(6-13)16-12/h5,7,10H,2-4,6,13H2,1H3,(H,14,15).
What are the key properties of [4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine?
[4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine is sourced from PubChem (CID 105489955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).