5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide

C18H21N7OS — CID 175202267

IUPAC5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide
SMILESCN1CCC(c2cnc(Nc3cc(-c4ccc(C(N)=O)s4)[nH]n3)nc2)CC1
InChIInChI=1S/C18H21N7OS/c1-25-6-4-11(5-7-25)12-9-20-18(21-10-12)22-16-8-13(23-24-16)14-2-3-15(27-14)17(19)26/h2-3,8-11H,4-7H2,1H3,(H2,19,26)(H2,20,21,22,23,24)
InChIKeyVTIJKPZCWNSBGZ-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.58
Rot. Bonds5

About 5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide

5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 175202267) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide
PubChem CID175202267
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC Name5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide
SMILESCN1CCC(c2cnc(Nc3cc(-c4ccc(C(N)=O)s4)[nH]n3)nc2)CC1
InChIInChI=1S/C18H21N7OS/c1-25-6-4-11(5-7-25)12-9-20-18(21-10-12)22-16-8-13(23-24-16)14-2-3-15(27-14)17(19)26/h2-3,8-11H,4-7H2,1H3,(H2,19,26)(H2,20,21,22,23,24)
InChIKeyVTIJKPZCWNSBGZ-UHFFFAOYSA-N
XLogP2.58
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide (CID 175202267) is 5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide is CN1CCC(c2cnc(Nc3cc(-c4ccc(C(N)=O)s4)[nH]n3)nc2)CC1.
What is the InChIKey of 5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is VTIJKPZCWNSBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-25-6-4-11(5-7-25)12-9-20-18(21-10-12)22-16-8-13(23-24-16)14-2-3-15(27-14)17(19)26/h2-3,8-11H,4-7H2,1H3,(H2,19,26)(H2,20,21,22,23,24).
What are the key properties of 5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide?
5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 175202267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).