2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H25FN8O3 — CID 90200051

IUPAC2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CC3(CCO3)C2)CC1
InChIInChI=1S/C23H25FN8O3/c24-15-9-27-20-18(19(25)29-32(20)11-15)21(33)28-16-10-26-5-1-17(16)30-6-2-14(3-7-30)22(34)31-12-23(13-31)4-8-35-23/h1,5,9-11,14H,2-4,6-8,12-13H2,(H2,25,29)(H,28,33)
InChIKeyDUTPUUMSAJEVEA-UHFFFAOYSA-N
MW480.50 g/mol
LogP1.32
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90200051) has the molecular formula C23H25FN8O3 and a molecular weight of 480.50 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90200051
Molecular FormulaC23H25FN8O3
Molecular Weight480.50 g/mol
Exact Mass480.20
IUPAC Name2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CC3(CCO3)C2)CC1
InChIInChI=1S/C23H25FN8O3/c24-15-9-27-20-18(19(25)29-32(20)11-15)21(33)28-16-10-26-5-1-17(16)30-6-2-14(3-7-30)22(34)31-12-23(13-31)4-8-35-23/h1,5,9-11,14H,2-4,6-8,12-13H2,(H2,25,29)(H,28,33)
InChIKeyDUTPUUMSAJEVEA-UHFFFAOYSA-N
XLogP1.32
TPSA130.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90200051) is 2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CC3(CCO3)C2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DUTPUUMSAJEVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O3/c24-15-9-27-20-18(19(25)29-32(20)11-15)21(33)28-16-10-26-5-1-17(16)30-6-2-14(3-7-30)22(34)31-12-23(13-31)4-8-35-23/h1,5,9-11,14H,2-4,6-8,12-13H2,(H2,25,29)(H,28,33).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(1-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90200051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).