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

C22H22FN9O — CID 90199641

IUPAC2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2ccc(-c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)cn2)CC1
InChIInChI=1S/C22H22FN9O/c1-30-6-8-31(9-7-30)18-3-2-14(10-26-18)16-4-5-25-12-17(16)28-22(33)19-20(24)29-32-13-15(23)11-27-21(19)32/h2-5,10-13H,6-9H2,1H3,(H2,24,29)(H,28,33)
InChIKeyVUBRWTBSMOVWEY-UHFFFAOYSA-N
MW447.48 g/mol
LogP1.91
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199641) has the molecular formula C22H22FN9O and a molecular weight of 447.48 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199641
Molecular FormulaC22H22FN9O
Molecular Weight447.48 g/mol
Exact Mass447.19
IUPAC Name2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2ccc(-c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)cn2)CC1
InChIInChI=1S/C22H22FN9O/c1-30-6-8-31(9-7-30)18-3-2-14(10-26-18)16-4-5-25-12-17(16)28-22(33)19-20(24)29-32-13-15(23)11-27-21(19)32/h2-5,10-13H,6-9H2,1H3,(H2,24,29)(H,28,33)
InChIKeyVUBRWTBSMOVWEY-UHFFFAOYSA-N
XLogP1.91
TPSA117.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 51.91
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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199641) is 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(c2ccc(-c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)cn2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VUBRWTBSMOVWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN9O/c1-30-6-8-31(9-7-30)18-3-2-14(10-26-18)16-4-5-25-12-17(16)28-22(33)19-20(24)29-32-13-15(23)11-27-21(19)32/h2-5,10-13H,6-9H2,1H3,(H2,24,29)(H,28,33).
What are the key properties of 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.48 g/mol, XLogP of 1.91, 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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).