2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C18H14ClN5O2 — CID 155147852

IUPAC2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(Cl)nc2c(C(=O)NCc3ccc(-c4ccco4)cn3)ncn12
InChIInChI=1S/C18H14ClN5O2/c1-11-7-15(19)23-17-16(22-10-24(11)17)18(25)21-9-13-5-4-12(8-20-13)14-3-2-6-26-14/h2-8,10H,9H2,1H3,(H,21,25)
InChIKeyVTZKWJCBBFQLRR-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.28
Rot. Bonds4

About 2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 155147852) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID155147852
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC Name2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(Cl)nc2c(C(=O)NCc3ccc(-c4ccco4)cn3)ncn12
InChIInChI=1S/C18H14ClN5O2/c1-11-7-15(19)23-17-16(22-10-24(11)17)18(25)21-9-13-5-4-12(8-20-13)14-3-2-6-26-14/h2-8,10H,9H2,1H3,(H,21,25)
InChIKeyVTZKWJCBBFQLRR-UHFFFAOYSA-N
XLogP3.28
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 155147852) is 2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(Cl)nc2c(C(=O)NCc3ccc(-c4ccco4)cn3)ncn12.
What is the InChIKey of 2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is VTZKWJCBBFQLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c1-11-7-15(19)23-17-16(22-10-24(11)17)18(25)21-9-13-5-4-12(8-20-13)14-3-2-6-26-14/h2-8,10H,9H2,1H3,(H,21,25).
What are the key properties of 2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(furan-2-yl)-2-pyridinyl]methyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 155147852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).