1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride

C17H16ClN7S — CID 47052375

IUPAC1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
SMILESCl.c1cnc(-c2nc(CNCc3cccnc3-n3cccn3)cs2)nc1
InChIInChI=1S/C17H15N7S.ClH/c1-4-13(16(21-5-1)24-9-3-8-22-24)10-18-11-14-12-25-17(23-14)15-19-6-2-7-20-15;/h1-9,12,18H,10-11H2;1H
InChIKeyMHGRVKUDJAGUTA-UHFFFAOYSA-N
MW385.88 g/mol
LogP2.89
Rot. Bonds6

About 1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride

1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 47052375) has the molecular formula C17H16ClN7S and a molecular weight of 385.88 g/mol. Its IUPAC name is 1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID47052375
Molecular FormulaC17H16ClN7S
Molecular Weight385.88 g/mol
Exact Mass385.09
IUPAC Name1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
SMILESCl.c1cnc(-c2nc(CNCc3cccnc3-n3cccn3)cs2)nc1
InChIInChI=1S/C17H15N7S.ClH/c1-4-13(16(21-5-1)24-9-3-8-22-24)10-18-11-14-12-25-17(23-14)15-19-6-2-7-20-15;/h1-9,12,18H,10-11H2;1H
InChIKeyMHGRVKUDJAGUTA-UHFFFAOYSA-N
XLogP2.89
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride (CID 47052375) is 1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride is Cl.c1cnc(-c2nc(CNCc3cccnc3-n3cccn3)cs2)nc1.
What is the InChIKey of 1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is MHGRVKUDJAGUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7S.ClH/c1-4-13(16(21-5-1)24-9-3-8-22-24)10-18-11-14-12-25-17(23-14)15-19-6-2-7-20-15;/h1-9,12,18H,10-11H2;1H.
What are the key properties of 1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride?
1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 385.88 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 47052375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).