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

C22H33FN8O3 — CID 137284633

IUPAC2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1CNCCC1N1CCC(C(=O)N3CCOCC3)CC1)NCC(F)=C2
InChIInChI=1S/C22H33FN8O3/c23-15-11-26-20-18(19(24)28-31(20)13-15)21(32)27-16-12-25-4-1-17(16)29-5-2-14(3-6-29)22(33)30-7-9-34-10-8-30/h13-14,16-17,25-26H,1-12H2,(H2,24,28)(H,27,32)
InChIKeyUFFQXEAXNAEDRV-UHFFFAOYSA-N
MW476.56 g/mol
LogP-0.31
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137284633) has the molecular formula C22H33FN8O3 and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137284633
Molecular FormulaC22H33FN8O3
Molecular Weight476.56 g/mol
Exact Mass476.27
IUPAC Name2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1CNCCC1N1CCC(C(=O)N3CCOCC3)CC1)NCC(F)=C2
InChIInChI=1S/C22H33FN8O3/c23-15-11-26-20-18(19(24)28-31(20)13-15)21(32)27-16-12-25-4-1-17(16)29-5-2-14(3-6-29)22(33)30-7-9-34-10-8-30/h13-14,16-17,25-26H,1-12H2,(H2,24,28)(H,27,32)
InChIKeyUFFQXEAXNAEDRV-UHFFFAOYSA-N
XLogP-0.31
TPSA129.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137284633) is 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2c(c1C(=O)NC1CNCCC1N1CCC(C(=O)N3CCOCC3)CC1)NCC(F)=C2.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UFFQXEAXNAEDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN8O3/c23-15-11-26-20-18(19(24)28-31(20)13-15)21(32)27-16-12-25-4-1-17(16)29-5-2-14(3-6-29)22(33)30-7-9-34-10-8-30/h13-14,16-17,25-26H,1-12H2,(H2,24,28)(H,27,32).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 476.56 g/mol, XLogP of -0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137284633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).