N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

About N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 142278871) has the molecular formula C26H34FN9O and a molecular weight of 507.62 g/mol. Its IUPAC name is N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name	N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID	142278871
Molecular Formula	C26H34FN9O
Molecular Weight	507.62 g/mol
Exact Mass	507.29
IUPAC Name	N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILES	CC(NC=O)c1ccc(-n2cc(F)cn2)nc1.CC1CCCC1.Cc1cc(Nc2cc(C)[nH]n2)ncn1
InChI	InChI=1S/C11H11FN4O.C9H11N5.C6H12/c1-8(14-7-17)9-2-3-11(13-4-9)16-6-10(12)5-15-16;1-6-3-8(11-5-10-6)12-9-4-7(2)13-14-9;1-6-4-2-3-5-6/h2-8H,1H3,(H,14,17);3-5H,1-2H3,(H2,10,11,12,13,14);6H,2-5H2,1H3
InChIKey	YTQRYIMLESTCOR-UHFFFAOYSA-N
XLogP	4.97
TPSA	126.30 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The IUPAC name of N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 142278871) is N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

What is the SMILES notation for N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The canonical SMILES for N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CC(NC=O)c1ccc(-n2cc(F)cn2)nc1.CC1CCCC1.Cc1cc(Nc2cc(C)[nH]n2)ncn1.

What is the InChIKey of N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The InChIKey is YTQRYIMLESTCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O.C9H11N5.C6H12/c1-8(14-7-17)9-2-3-11(13-4-9)16-6-10(12)5-15-16;1-6-3-8(11-5-10-6)12-9-4-7(2)13-14-9;1-6-4-2-3-5-6/h2-8H,1H3,(H,14,17);3-5H,1-2H3,(H2,10,11,12,13,14);6H,2-5H2,1H3.

What are the key properties of N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 507.62 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;methylcyclopentane;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 142278871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).