2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27FN8O3 — CID 90199714

IUPAC2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1(C)CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1
InChIInChI=1S/C23H27FN8O3/c1-23(35-2)12-31(13-23)22(34)14-4-7-30(8-5-14)17-3-6-26-10-16(17)28-21(33)18-19(25)29-32-11-15(24)9-27-20(18)32/h3,6,9-11,14H,4-5,7-8,12-13H2,1-2H3,(H2,25,29)(H,28,33)
InChIKeyRKTDLOOMZVNFET-UHFFFAOYSA-N
MW482.52 g/mol
LogP1.56
Rot. Bonds5

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

2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199714) has the molecular formula C23H27FN8O3 and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199714
Molecular FormulaC23H27FN8O3
Molecular Weight482.52 g/mol
Exact Mass482.22
IUPAC Name2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1(C)CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1
InChIInChI=1S/C23H27FN8O3/c1-23(35-2)12-31(13-23)22(34)14-4-7-30(8-5-14)17-3-6-26-10-16(17)28-21(33)18-19(25)29-32-11-15(24)9-27-20(18)32/h3,6,9-11,14H,4-5,7-8,12-13H2,1-2H3,(H2,25,29)(H,28,33)
InChIKeyRKTDLOOMZVNFET-UHFFFAOYSA-N
XLogP1.56
TPSA130.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 51.56
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-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199714) is 2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-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-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COC1(C)CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RKTDLOOMZVNFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN8O3/c1-23(35-2)12-31(13-23)22(34)14-4-7-30(8-5-14)17-3-6-26-10-16(17)28-21(33)18-19(25)29-32-11-15(24)9-27-20(18)32/h3,6,9-11,14H,4-5,7-8,12-13H2,1-2H3,(H2,25,29)(H,28,33).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 1.56, 5 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-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).