N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine

C17H17ClN4O — CID 146288454

IUPACN-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1cncc(Cl)c1Nc1nccc2c1ccn2CC1COC1
InChIInChI=1S/C17H17ClN4O/c1-11-6-19-7-14(18)16(11)21-17-13-3-5-22(8-12-9-23-10-12)15(13)2-4-20-17/h2-7,12H,8-10H2,1H3,(H,19,20,21)
InChIKeyCZNMMUVYXJYGPA-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.78
Rot. Bonds4

About N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine

N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 146288454) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID146288454
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1cncc(Cl)c1Nc1nccc2c1ccn2CC1COC1
InChIInChI=1S/C17H17ClN4O/c1-11-6-19-7-14(18)16(11)21-17-13-3-5-22(8-12-9-23-10-12)15(13)2-4-20-17/h2-7,12H,8-10H2,1H3,(H,19,20,21)
InChIKeyCZNMMUVYXJYGPA-UHFFFAOYSA-N
XLogP3.78
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine (CID 146288454) is N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine is Cc1cncc(Cl)c1Nc1nccc2c1ccn2CC1COC1.
What is the InChIKey of N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is CZNMMUVYXJYGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-11-6-19-7-14(18)16(11)21-17-13-3-5-22(8-12-9-23-10-12)15(13)2-4-20-17/h2-7,12H,8-10H2,1H3,(H,19,20,21).
What are the key properties of N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 328.80 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 146288454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).