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

C23H42FN9O2 — CID 140643725

IUPAC2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)N2CCC(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)CC1
InChIInChI=1S/C23H42FN9O2/c1-30-8-10-32(11-9-30)23(35)31-6-3-15(4-7-31)17-2-5-26-13-18(17)28-22(34)19-20(25)29-33-14-16(24)12-27-21(19)33/h15-21,26-27,29H,2-14,25H2,1H3,(H,28,34)
InChIKeyUMBDHBMSRSFNHK-UHFFFAOYSA-N
MW495.65 g/mol
LogP-1.85
Rot. Bonds3

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

2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643725) has the molecular formula C23H42FN9O2 and a molecular weight of 495.65 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643725
Molecular FormulaC23H42FN9O2
Molecular Weight495.65 g/mol
Exact Mass495.34
IUPAC Name2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)N2CCC(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)CC1
InChIInChI=1S/C23H42FN9O2/c1-30-8-10-32(11-9-30)23(35)31-6-3-15(4-7-31)17-2-5-26-13-18(17)28-22(34)19-20(25)29-33-14-16(24)12-27-21(19)33/h15-21,26-27,29H,2-14,25H2,1H3,(H,28,34)
InChIKeyUMBDHBMSRSFNHK-UHFFFAOYSA-N
XLogP-1.85
TPSA121.24 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 5-1.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-cyclooctyl-6-fluoro-N-[5-fluoro-4-[4-(3,3,4-trimethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123248589
2-amino-7-cyclohexyl-6-fluoro-N-[5-fluoro-4-[4-(4-methyl-4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123368489
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-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-[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
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
N-(1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridin-4-yl)-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134598
2-amino-6-fluoro-N-[4-(5-methyl-1,3-diazinan-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134704
2-amino-6-fluoro-N-[1-methyl-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 129134771
2-amino-6-fluoro-N-[4-(2-methylpiperidin-3-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134800

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643725) is 2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(C(=O)N2CCC(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UMBDHBMSRSFNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42FN9O2/c1-30-8-10-32(11-9-30)23(35)31-6-3-15(4-7-31)17-2-5-26-13-18(17)28-22(34)19-20(25)29-33-14-16(24)12-27-21(19)33/h15-21,26-27,29H,2-14,25H2,1H3,(H,28,34).
What are the key properties of 2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 495.65 g/mol, XLogP of -1.85, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).