[1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone

C17H18N6OS — CID 97405024

IUPAC[1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
SMILESCn1nc(CNc2ncccn2)c2c1CN(C(=O)c1cccs1)CC2
InChIInChI=1S/C17H18N6OS/c1-22-14-11-23(16(24)15-4-2-9-25-15)8-5-12(14)13(21-22)10-20-17-18-6-3-7-19-17/h2-4,6-7,9H,5,8,10-11H2,1H3,(H,18,19,20)
InChIKeyBQWHTGZLKGUENM-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.08
Rot. Bonds4

About [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone

[1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone (PubChem CID 97405024) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
PubChem CID97405024
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name[1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
SMILESCn1nc(CNc2ncccn2)c2c1CN(C(=O)c1cccs1)CC2
InChIInChI=1S/C17H18N6OS/c1-22-14-11-23(16(24)15-4-2-9-25-15)8-5-12(14)13(21-22)10-20-17-18-6-3-7-19-17/h2-4,6-7,9H,5,8,10-11H2,1H3,(H,18,19,20)
InChIKeyBQWHTGZLKGUENM-UHFFFAOYSA-N
XLogP2.08
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

N-[(1-methyl-6-propylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
CID 97410113
[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
CID 97405017
1-(thiophene-2-carbonyl)pyrrolidin-3-one
CID 112536071
(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-pyridin-2-ylmethanone
CID 84582242
N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
CID 53018181
[(7S)-7-[2-(pyrimidin-2-ylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-thiophen-2-ylmethanone
CID 124787566
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 83275774
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 97122179
N-[[3-methyl-7-(thiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenoxypropanamide
CID 26360754
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl(thiophen-2-yl)methanone
CID 44771350

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone (CID 97405024) is [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone is Cn1nc(CNc2ncccn2)c2c1CN(C(=O)c1cccs1)CC2.
What is the InChIKey of [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
The InChIKey is BQWHTGZLKGUENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-22-14-11-23(16(24)15-4-2-9-25-15)8-5-12(14)13(21-22)10-20-17-18-6-3-7-19-17/h2-4,6-7,9H,5,8,10-11H2,1H3,(H,18,19,20).
What are the key properties of [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
[1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone has a molecular weight of 354.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[(pyrimidin-2-ylamino)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97405024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).