2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H37F2N9O2 — CID 137284582

IUPAC2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1CNCC(F)C1N1CCC(C(=O)NCCN3CCC3)CC1)NCC(F)C2
InChIInChI=1S/C23H37F2N9O2/c24-15-10-29-21-18(20(26)31-34(21)13-15)23(36)30-17-12-27-11-16(25)19(17)33-7-2-14(3-8-33)22(35)28-4-9-32-5-1-6-32/h14-17,19,27,29H,1-13H2,(H2,26,31)(H,28,35)(H,30,36)
InChIKeyZRZWFDSHPGZTOI-UHFFFAOYSA-N
MW509.61 g/mol
LogP-0.83
Rot. Bonds7

About 2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137284582) has the molecular formula C23H37F2N9O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137284582
Molecular FormulaC23H37F2N9O2
Molecular Weight509.61 g/mol
Exact Mass509.30
IUPAC Name2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1CNCC(F)C1N1CCC(C(=O)NCCN3CCC3)CC1)NCC(F)C2
InChIInChI=1S/C23H37F2N9O2/c24-15-10-29-21-18(20(26)31-34(21)13-15)23(36)30-17-12-27-11-16(25)19(17)33-7-2-14(3-8-33)22(35)28-4-9-32-5-1-6-32/h14-17,19,27,29H,1-13H2,(H2,26,31)(H,28,35)(H,30,36)
InChIKeyZRZWFDSHPGZTOI-UHFFFAOYSA-N
XLogP-0.83
TPSA132.58 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 5-0.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[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-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137284582) is 2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2c(c1C(=O)NC1CNCC(F)C1N1CCC(C(=O)NCCN3CCC3)CC1)NCC(F)C2.
What is the InChIKey of 2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZRZWFDSHPGZTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37F2N9O2/c24-15-10-29-21-18(20(26)31-34(21)13-15)23(36)30-17-12-27-11-16(25)19(17)33-7-2-14(3-8-33)22(35)28-4-9-32-5-1-6-32/h14-17,19,27,29H,1-13H2,(H2,26,31)(H,28,35)(H,30,36).
What are the key properties of 2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 509.61 g/mol, XLogP of -0.83, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-[2-(azetidin-1-yl)ethylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137284582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).