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

C26H25N9O — CID 42099780

IUPACN-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21)c1ccc2ccccc2c1
InChIInChI=1S/C26H25N9O/c36-25(21-7-6-19-4-1-2-5-20(19)16-21)27-10-11-35-24-22(17-32-35)23(30-18-31-24)33-12-14-34(15-13-33)26-28-8-3-9-29-26/h1-9,16-18H,10-15H2,(H,27,36)
InChIKeyPNOWLBSGIGBJMP-UHFFFAOYSA-N
MW479.55 g/mol
LogP2.53
Rot. Bonds6

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

N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 42099780) has the molecular formula C26H25N9O and a molecular weight of 479.55 g/mol. Its IUPAC name is N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
PubChem CID42099780
Molecular FormulaC26H25N9O
Molecular Weight479.55 g/mol
Exact Mass479.22
IUPAC NameN-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21)c1ccc2ccccc2c1
InChIInChI=1S/C26H25N9O/c36-25(21-7-6-19-4-1-2-5-20(19)16-21)27-10-11-35-24-22(17-32-35)23(30-18-31-24)33-12-14-34(15-13-33)26-28-8-3-9-29-26/h1-9,16-18H,10-15H2,(H,27,36)
InChIKeyPNOWLBSGIGBJMP-UHFFFAOYSA-N
XLogP2.53
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-phenoxy-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42099773
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42099739
N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide
CID 42099705
N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 42099787
N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 42391870
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 42099679
N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 51696258
N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide
CID 42099687
3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 27545812
N-[2-[4-(propan-2-ylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 16904524
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 16608584

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide (CID 42099780) is N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide is O=C(NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is PNOWLBSGIGBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O/c36-25(21-7-6-19-4-1-2-5-20(19)16-21)27-10-11-35-24-22(17-32-35)23(30-18-31-24)33-12-14-34(15-13-33)26-28-8-3-9-29-26/h1-9,16-18H,10-15H2,(H,27,36).
What are the key properties of N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide?
N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 479.55 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42099780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).