N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C17H15FN6OS — CID 135234256

IUPACN-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1ncc2c(n1)CN(C(=O)Nc1nc(-c3ccc(F)s3)ccc1N)C2
InChIInChI=1S/C17H15FN6OS/c1-9-20-6-10-7-24(8-13(10)21-9)17(25)23-16-11(19)2-3-12(22-16)14-4-5-15(18)26-14/h2-6H,7-8,19H2,1H3,(H,22,23,25)
InChIKeyHYTBYRUXHROXFB-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.18
Rot. Bonds2

About N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 135234256) has the molecular formula C17H15FN6OS and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID135234256
Molecular FormulaC17H15FN6OS
Molecular Weight370.41 g/mol
Exact Mass370.10
IUPAC NameN-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1ncc2c(n1)CN(C(=O)Nc1nc(-c3ccc(F)s3)ccc1N)C2
InChIInChI=1S/C17H15FN6OS/c1-9-20-6-10-7-24(8-13(10)21-9)17(25)23-16-11(19)2-3-12(22-16)14-4-5-15(18)26-14/h2-6H,7-8,19H2,1H3,(H,22,23,25)
InChIKeyHYTBYRUXHROXFB-UHFFFAOYSA-N
XLogP3.18
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 135234256) is N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1ncc2c(n1)CN(C(=O)Nc1nc(-c3ccc(F)s3)ccc1N)C2.
What is the InChIKey of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is HYTBYRUXHROXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6OS/c1-9-20-6-10-7-24(8-13(10)21-9)17(25)23-16-11(19)2-3-12(22-16)14-4-5-15(18)26-14/h2-6H,7-8,19H2,1H3,(H,22,23,25).
What are the key properties of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 135234256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).