5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide

C19H19N5O2S — CID 86930423

IUPAC5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C19H19N5O2S/c1-12-9-16(23-18(25)14-3-4-14)27-17(12)19(26)21-11-13-5-7-20-15(10-13)24-8-2-6-22-24/h2,5-10,14H,3-4,11H2,1H3,(H,21,26)(H,23,25)
InChIKeyZJIFZJHITKTURZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.92
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 86930423) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID86930423
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C19H19N5O2S/c1-12-9-16(23-18(25)14-3-4-14)27-17(12)19(26)21-11-13-5-7-20-15(10-13)24-8-2-6-22-24/h2,5-10,14H,3-4,11H2,1H3,(H,21,26)(H,23,25)
InChIKeyZJIFZJHITKTURZ-UHFFFAOYSA-N
XLogP2.92
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide (CID 86930423) is 5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is ZJIFZJHITKTURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-9-16(23-18(25)14-3-4-14)27-17(12)19(26)21-11-13-5-7-20-15(10-13)24-8-2-6-22-24/h2,5-10,14H,3-4,11H2,1H3,(H,21,26)(H,23,25).
What are the key properties of 5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 86930423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).