N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide

C20H23F2N7O — CID 162652215

IUPACN-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide
SMILESC[C@@H](Nc1ccn2ncc(NC(=O)N3CCN(C)CC3)c2n1)c1cc(F)ccc1F
InChIInChI=1S/C20H23F2N7O/c1-13(15-11-14(21)3-4-16(15)22)24-18-5-6-29-19(26-18)17(12-23-29)25-20(30)28-9-7-27(2)8-10-28/h3-6,11-13H,7-10H2,1-2H3,(H,24,26)(H,25,30)/t13-/m1/s1
InChIKeyNPVVAEDMCPEANH-CYBMUJFWSA-N
MW415.45 g/mol
LogP2.96
Rot. Bonds4

About N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide

N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 162652215) has the molecular formula C20H23F2N7O and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide
PubChem CID162652215
Molecular FormulaC20H23F2N7O
Molecular Weight415.45 g/mol
Exact Mass415.19
IUPAC NameN-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide
SMILESC[C@@H](Nc1ccn2ncc(NC(=O)N3CCN(C)CC3)c2n1)c1cc(F)ccc1F
InChIInChI=1S/C20H23F2N7O/c1-13(15-11-14(21)3-4-16(15)22)24-18-5-6-29-19(26-18)17(12-23-29)25-20(30)28-9-7-27(2)8-10-28/h3-6,11-13H,7-10H2,1-2H3,(H,24,26)(H,25,30)/t13-/m1/s1
InChIKeyNPVVAEDMCPEANH-CYBMUJFWSA-N
XLogP2.96
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide (CID 162652215) is N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide is C[C@@H](Nc1ccn2ncc(NC(=O)N3CCN(C)CC3)c2n1)c1cc(F)ccc1F.
What is the InChIKey of N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is NPVVAEDMCPEANH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23F2N7O/c1-13(15-11-14(21)3-4-16(15)22)24-18-5-6-29-19(26-18)17(12-23-29)25-20(30)28-9-7-27(2)8-10-28/h3-6,11-13H,7-10H2,1-2H3,(H,24,26)(H,25,30)/t13-/m1/s1.
What are the key properties of N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide?
N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 162652215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).