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

C26H32FN9O3 — CID 134574533

IUPAC2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(N2CCN(C(=O)C3CCN(c4ccncc4NC(=O)c4c(N)nn5cc(F)cnc45)CC3)CC2)COC1
InChIInChI=1S/C26H32FN9O3/c1-26(15-39-16-26)35-10-8-34(9-11-35)25(38)17-3-6-33(7-4-17)20-2-5-29-13-19(20)31-24(37)21-22(28)32-36-14-18(27)12-30-23(21)36/h2,5,12-14,17H,3-4,6-11,15-16H2,1H3,(H2,28,32)(H,31,37)
InChIKeyAGVHGFHRTBGLTM-UHFFFAOYSA-N
MW537.60 g/mol
LogP1.25
Rot. Bonds5

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

2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134574533) has the molecular formula C26H32FN9O3 and a molecular weight of 537.60 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134574533
Molecular FormulaC26H32FN9O3
Molecular Weight537.60 g/mol
Exact Mass537.26
IUPAC Name2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(N2CCN(C(=O)C3CCN(c4ccncc4NC(=O)c4c(N)nn5cc(F)cnc45)CC3)CC2)COC1
InChIInChI=1S/C26H32FN9O3/c1-26(15-39-16-26)35-10-8-34(9-11-35)25(38)17-3-6-33(7-4-17)20-2-5-29-13-19(20)31-24(37)21-22(28)32-36-14-18(27)12-30-23(21)36/h2,5,12-14,17H,3-4,6-11,15-16H2,1H3,(H2,28,32)(H,31,37)
InChIKeyAGVHGFHRTBGLTM-UHFFFAOYSA-N
XLogP1.25
TPSA134.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.60
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-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-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134574533) is 2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-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-[4-(3-methyloxetan-3-yl)piperazine-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-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(N2CCN(C(=O)C3CCN(c4ccncc4NC(=O)c4c(N)nn5cc(F)cnc45)CC3)CC2)COC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AGVHGFHRTBGLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN9O3/c1-26(15-39-16-26)35-10-8-34(9-11-35)25(38)17-3-6-33(7-4-17)20-2-5-29-13-19(20)31-24(37)21-22(28)32-36-14-18(27)12-30-23(21)36/h2,5,12-14,17H,3-4,6-11,15-16H2,1H3,(H2,28,32)(H,31,37).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 537.60 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-[4-(3-methyloxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134574533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).