N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H33FN8O2 — CID 140643914

IUPACN-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)N1CCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1
InChIInChI=1S/C18H33FN8O2/c1-11(28)25-4-6-26(7-5-25)14-2-3-21-9-13(14)23-18(29)15-16(20)24-27-10-12(19)8-22-17(15)27/h12-17,21-22,24H,2-10,20H2,1H3,(H,23,29)
InChIKeyINBLDNUEDURPKE-UHFFFAOYSA-N
MW412.51 g/mol
LogP-3.01
Rot. Bonds3

About N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643914) has the molecular formula C18H33FN8O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643914
Molecular FormulaC18H33FN8O2
Molecular Weight412.51 g/mol
Exact Mass412.27
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)N1CCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1
InChIInChI=1S/C18H33FN8O2/c1-11(28)25-4-6-26(7-5-25)14-2-3-21-9-13(14)23-18(29)15-16(20)24-27-10-12(19)8-22-17(15)27/h12-17,21-22,24H,2-10,20H2,1H3,(H,23,29)
InChIKeyINBLDNUEDURPKE-UHFFFAOYSA-N
XLogP-3.01
TPSA118.00 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 5-3.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

3,3-diamino-2-(5-butyl-1-ethyl-5-fluoro-3-methyl-1,3-diazinan-2-yl)-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)piperidin-3-yl]propanamide
CID 123755717
2-amino-6-fluoro-N-[1-methyl-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129132794
2-amino-6-fluoro-N-[4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129132795
2-amino-6-fluoro-4-methyl-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133110
2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133413
2-amino-6-fluoro-N-[4-(2-methylpyrazolidin-3-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133525
2-amino-6-fluoro-N-[4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133526
2-amino-6-fluoro-N-[1-methyl-4-(1-methylpiperidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133546
2-amino-6-fluoro-N-[4-(1-methyl-6-oxopiperidin-3-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133549
2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazolidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133809
N-[4-[(3aR,7aR)-2-methyl-3-oxo-1,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]piperidin-3-yl]-2-amino-6-fluoro-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134165
2-amino-6-fluoro-N-[4-[4-[2-(methylamino)ethyl]pyrazolidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134490

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643914) is N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)N1CCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is INBLDNUEDURPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN8O2/c1-11(28)25-4-6-26(7-5-25)14-2-3-21-9-13(14)23-18(29)15-16(20)24-27-10-12(19)8-22-17(15)27/h12-17,21-22,24H,2-10,20H2,1H3,(H,23,29).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of -3.01, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).