4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

C20H13N5O2S — CID 66932537

IUPAC4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2c(-c3ccc4c(N)ccc-4o3)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C20H13N5O2S/c21-12-5-7-14-10(12)4-6-15(27-14)17-11-9-16(18(22)26)28-20(11)25-19(24-17)13-3-1-2-8-23-13/h1-9H,21H2,(H2,22,26)
InChIKeyCWIRVIADNHLQPO-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.80
Rot. Bonds3

About 4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 66932537) has the molecular formula C20H13N5O2S and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID66932537
Molecular FormulaC20H13N5O2S
Molecular Weight387.42 g/mol
Exact Mass387.08
IUPAC Name4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2c(-c3ccc4c(N)ccc-4o3)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C20H13N5O2S/c21-12-5-7-14-10(12)4-6-15(27-14)17-11-9-16(18(22)26)28-20(11)25-19(24-17)13-3-1-2-8-23-13/h1-9H,21H2,(H2,22,26)
InChIKeyCWIRVIADNHLQPO-UHFFFAOYSA-N
XLogP3.80
TPSA120.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 66932537) is 4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1cc2c(-c3ccc4c(N)ccc-4o3)nc(-c3ccccn3)nc2s1.
What is the InChIKey of 4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CWIRVIADNHLQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2S/c21-12-5-7-14-10(12)4-6-15(27-14)17-11-9-16(18(22)26)28-20(11)25-19(24-17)13-3-1-2-8-23-13/h1-9H,21H2,(H2,22,26).
What are the key properties of 4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminocyclopenta[b]pyran-2-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 66932537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).