N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide

C18H24FN7O — CID 118784232

IUPACN-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
SMILESCNc1nc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)ncc1F
InChIInChI=1S/C18H24FN7O/c1-20-16-15(19)10-22-18(23-16)25-6-7-26-14(11-25)8-13(24-26)9-21-17(27)12-4-2-3-5-12/h8,10,12H,2-7,9,11H2,1H3,(H,21,27)(H,20,22,23)
InChIKeySETRGOIVAILZRZ-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.68
Rot. Bonds5

About N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide

N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 118784232) has the molecular formula C18H24FN7O and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
PubChem CID118784232
Molecular FormulaC18H24FN7O
Molecular Weight373.44 g/mol
Exact Mass373.20
IUPAC NameN-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
SMILESCNc1nc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)ncc1F
InChIInChI=1S/C18H24FN7O/c1-20-16-15(19)10-22-18(23-16)25-6-7-26-14(11-25)8-13(24-26)9-21-17(27)12-4-2-3-5-12/h8,10,12H,2-7,9,11H2,1H3,(H,21,27)(H,20,22,23)
InChIKeySETRGOIVAILZRZ-UHFFFAOYSA-N
XLogP1.68
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118769143
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70747840
N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118790699
6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid
CID 118788133
6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid
CID 118794991
(1S)-1-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 99974242
N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118779509
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118772302
(S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 99974743
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118771707
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclohexanecarboxamide
CID 70732727
N-[[5-[(3-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118784008

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide (CID 118784232) is N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide is CNc1nc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)ncc1F.
What is the InChIKey of N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is SETRGOIVAILZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN7O/c1-20-16-15(19)10-22-18(23-16)25-6-7-26-14(11-25)8-13(24-26)9-21-17(27)12-4-2-3-5-12/h8,10,12H,2-7,9,11H2,1H3,(H,21,27)(H,20,22,23).
What are the key properties of N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 118784232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).