N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide

C28H26FN7O — CID 42099777

IUPACN-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21)c1ccc2ccccc2c1
InChIInChI=1S/C28H26FN7O/c29-23-7-9-24(10-8-23)34-13-15-35(16-14-34)26-25-18-33-36(27(25)32-19-31-26)12-11-30-28(37)22-6-5-20-3-1-2-4-21(20)17-22/h1-10,17-19H,11-16H2,(H,30,37)
InChIKeyIRWSGAMTJHMTAM-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.88
Rot. Bonds6

About N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide

N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 42099777) has the molecular formula C28H26FN7O and a molecular weight of 495.56 g/mol. Its IUPAC name is N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
PubChem CID42099777
Molecular FormulaC28H26FN7O
Molecular Weight495.56 g/mol
Exact Mass495.22
IUPAC NameN-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21)c1ccc2ccccc2c1
InChIInChI=1S/C28H26FN7O/c29-23-7-9-24(10-8-23)34-13-15-35(16-14-34)26-25-18-33-36(27(25)32-19-31-26)12-11-30-28(37)22-6-5-20-3-1-2-4-21(20)17-22/h1-10,17-19H,11-16H2,(H,30,37)
InChIKeyIRWSGAMTJHMTAM-UHFFFAOYSA-N
XLogP3.88
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide (CID 42099777) is N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide is O=C(NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is IRWSGAMTJHMTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O/c29-23-7-9-24(10-8-23)34-13-15-35(16-14-34)26-25-18-33-36(27(25)32-19-31-26)12-11-30-28(37)22-6-5-20-3-1-2-4-21(20)17-22/h1-10,17-19H,11-16H2,(H,30,37).
What are the key properties of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide?
N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42099777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).