2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H34FN9O2 — CID 137299941

IUPAC2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CC1(C2CNc3c(C(=O)NC4CNCC(F)C4N4CCN(C5COC5)CC4)c(N)nn3C2)CC1
InChIInChI=1S/C23H34FN9O2/c24-16-8-27-9-17(19(16)32-5-3-31(4-6-32)15-11-35-12-15)29-22(34)18-20(26)30-33-10-14(7-28-21(18)33)23(13-25)1-2-23/h14-17,19,27-28H,1-12H2,(H2,26,30)(H,29,34)
InChIKeyBCUWJCNZHCLFPT-UHFFFAOYSA-N
MW487.58 g/mol
LogP-0.76
Rot. Bonds5

About 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137299941) has the molecular formula C23H34FN9O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137299941
Molecular FormulaC23H34FN9O2
Molecular Weight487.58 g/mol
Exact Mass487.28
IUPAC Name2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CC1(C2CNc3c(C(=O)NC4CNCC(F)C4N4CCN(C5COC5)CC4)c(N)nn3C2)CC1
InChIInChI=1S/C23H34FN9O2/c24-16-8-27-9-17(19(16)32-5-3-31(4-6-32)15-11-35-12-15)29-22(34)18-20(26)30-33-10-14(7-28-21(18)33)23(13-25)1-2-23/h14-17,19,27-28H,1-12H2,(H2,26,30)(H,29,34)
InChIKeyBCUWJCNZHCLFPT-UHFFFAOYSA-N
XLogP-0.76
TPSA136.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137299941) is 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is N#CC1(C2CNc3c(C(=O)NC4CNCC(F)C4N4CCN(C5COC5)CC4)c(N)nn3C2)CC1.
What is the InChIKey of 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BCUWJCNZHCLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN9O2/c24-16-8-27-9-17(19(16)32-5-3-31(4-6-32)15-11-35-12-15)29-22(34)18-20(26)30-33-10-14(7-28-21(18)33)23(13-25)1-2-23/h14-17,19,27-28H,1-12H2,(H2,26,30)(H,29,34).
What are the key properties of 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 487.58 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-cyanocyclopropyl)-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137299941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).