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

C23H39FN8O3S — CID 129134435

IUPAC2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN1CC(F)Cn2nc(N)c(C(=O)NC3CNCCC3N3CCC(S(=O)(=O)N4CCC4)CC3)c21
InChIInChI=1S/C23H39FN8O3S/c1-2-8-30-14-16(24)15-32-23(30)20(21(25)28-32)22(33)27-18-13-26-7-4-19(18)29-11-5-17(6-12-29)36(34,35)31-9-3-10-31/h16-19,26H,2-15H2,1H3,(H2,25,28)(H,27,33)
InChIKeyKSFDKTJYRWSYKS-UHFFFAOYSA-N
MW526.68 g/mol
LogP-0.01
Rot. Bonds7

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

2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129134435) has the molecular formula C23H39FN8O3S and a molecular weight of 526.68 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129134435
Molecular FormulaC23H39FN8O3S
Molecular Weight526.68 g/mol
Exact Mass526.28
IUPAC Name2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN1CC(F)Cn2nc(N)c(C(=O)NC3CNCCC3N3CCC(S(=O)(=O)N4CCC4)CC3)c21
InChIInChI=1S/C23H39FN8O3S/c1-2-8-30-14-16(24)15-32-23(30)20(21(25)28-32)22(33)27-18-13-26-7-4-19(18)29-11-5-17(6-12-29)36(34,35)31-9-3-10-31/h16-19,26H,2-15H2,1H3,(H2,25,28)(H,27,33)
InChIKeyKSFDKTJYRWSYKS-UHFFFAOYSA-N
XLogP-0.01
TPSA128.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.68
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129134435) is 2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN1CC(F)Cn2nc(N)c(C(=O)NC3CNCCC3N3CCC(S(=O)(=O)N4CCC4)CC3)c21.
What is the InChIKey of 2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KSFDKTJYRWSYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39FN8O3S/c1-2-8-30-14-16(24)15-32-23(30)20(21(25)28-32)22(33)27-18-13-26-7-4-19(18)29-11-5-17(6-12-29)36(34,35)31-9-3-10-31/h16-19,26H,2-15H2,1H3,(H2,25,28)(H,27,33).
What are the key properties of 2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 526.68 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(azetidin-1-ylsulfonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129134435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).