2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H36F2N8O — CID 134340030

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN1CC(F)CN2NC(N)C(C(=O)NC3CNCC(F)C3C3CNCN3C)C12
InChIInChI=1S/C19H36F2N8O/c1-3-4-28-8-11(20)9-29-19(28)16(17(22)26-29)18(30)25-13-6-23-5-12(21)15(13)14-7-24-10-27(14)2/h11-17,19,23-24,26H,3-10,22H2,1-2H3,(H,25,30)
InChIKeyMJIPOLMBIQUKIF-UHFFFAOYSA-N
MW430.55 g/mol
LogP-2.00
Rot. Bonds5

About 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134340030) has the molecular formula C19H36F2N8O and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134340030
Molecular FormulaC19H36F2N8O
Molecular Weight430.55 g/mol
Exact Mass430.30
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN1CC(F)CN2NC(N)C(C(=O)NC3CNCC(F)C3C3CNCN3C)C12
InChIInChI=1S/C19H36F2N8O/c1-3-4-28-8-11(20)9-29-19(28)16(17(22)26-29)18(30)25-13-6-23-5-12(21)15(13)14-7-24-10-27(14)2/h11-17,19,23-24,26H,3-10,22H2,1-2H3,(H,25,30)
InChIKeyMJIPOLMBIQUKIF-UHFFFAOYSA-N
XLogP-2.00
TPSA100.93 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134340030) is 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN1CC(F)CN2NC(N)C(C(=O)NC3CNCC(F)C3C3CNCN3C)C12.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MJIPOLMBIQUKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F2N8O/c1-3-4-28-8-11(20)9-29-19(28)16(17(22)26-29)18(30)25-13-6-23-5-12(21)15(13)14-7-24-10-27(14)2/h11-17,19,23-24,26H,3-10,22H2,1-2H3,(H,25,30).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of -2.00, 5 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-[5-fluoro-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-4-propyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134340030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).