benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C26H27N5O2S — CID 178137749

About benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 178137749) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 178137749
• Molecular Formula: C26H27N5O2S
• Molecular Weight: 473.60 g/mol
• Exact Mass: 473.19
• IUPAC Name: benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(NCc1cc2cnccc2s1)C1CCc2ncc(NCC3CC3)c(=O)n21.c1ccccc1
• InChI: InChI=1S/C20H21N5O2S.C6H6/c26-19(24-10-14-7-13-9-21-6-5-17(13)28-14)16-3-4-18-23-11-15(20(27)25(16)18)22-8-12-1-2-12;1-2-4-6-5-3-1/h5-7,9,11-12,16,22H,1-4,8,10H2,(H,24,26);1-6H
• InChIKey: FKWIDJZVTDNLTA-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The IUPAC name of benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 178137749) is benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is O=C(NCc1cc2cnccc2s1)C1CCc2ncc(NCC3CC3)c(=O)n21.c1ccccc1.

What is the InChIKey of benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The InChIKey is FKWIDJZVTDNLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S.C6H6/c26-19(24-10-14-7-13-9-21-6-5-17(13)28-14)16-3-4-18-23-11-15(20(27)25(16)18)22-8-12-1-2-12;1-2-4-6-5-3-1/h5-7,9,11-12,16,22H,1-4,8,10H2,(H,24,26);1-6H.

What are the key properties of benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 178137749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).