5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H25N7 — CID 31105890

IUPAC5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCC[C@@H](C)c1n[nH]c2c1CN(c1cc(-n3cc(C)cn3)ncn1)CC2
InChIInChI=1S/C19H25N7/c1-4-5-14(3)19-15-11-25(7-6-16(15)23-24-19)17-8-18(21-12-20-17)26-10-13(2)9-22-26/h8-10,12,14H,4-7,11H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyDJAKJVXXWQKOCO-CQSZACIVSA-N
MW351.46 g/mol
LogP3.16
Rot. Bonds5

About 5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 31105890) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID31105890
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCC[C@@H](C)c1n[nH]c2c1CN(c1cc(-n3cc(C)cn3)ncn1)CC2
InChIInChI=1S/C19H25N7/c1-4-5-14(3)19-15-11-25(7-6-16(15)23-24-19)17-8-18(21-12-20-17)26-10-13(2)9-22-26/h8-10,12,14H,4-7,11H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyDJAKJVXXWQKOCO-CQSZACIVSA-N
XLogP3.16
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 31105890) is 5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCC[C@@H](C)c1n[nH]c2c1CN(c1cc(-n3cc(C)cn3)ncn1)CC2.
What is the InChIKey of 5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is DJAKJVXXWQKOCO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N7/c1-4-5-14(3)19-15-11-25(7-6-16(15)23-24-19)17-8-18(21-12-20-17)26-10-13(2)9-22-26/h8-10,12,14H,4-7,11H2,1-3H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 351.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]-3-[(2R)-pentan-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 31105890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).