N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide

C29H28N6O — CID 118664711

IUPACN,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
SMILESCN(C)C(=O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)cccc12
InChIInChI=1S/C29H28N6O/c1-33(2)29(36)26-8-4-5-23-24(26)6-3-7-25(23)27-18-32-35-19-21(17-31-28(27)35)20-9-11-22(12-10-20)34-15-13-30-14-16-34/h3-12,17-19,30H,13-16H2,1-2H3
InChIKeyLKZLSZFBLJUCHE-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.33
Rot. Bonds4

About N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide

N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide (PubChem CID 118664711) has the molecular formula C29H28N6O and a molecular weight of 476.58 g/mol. Its IUPAC name is N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
PubChem CID118664711
Molecular FormulaC29H28N6O
Molecular Weight476.58 g/mol
Exact Mass476.23
IUPAC NameN,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
SMILESCN(C)C(=O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)cccc12
InChIInChI=1S/C29H28N6O/c1-33(2)29(36)26-8-4-5-23-24(26)6-3-7-25(23)27-18-32-35-19-21(17-31-28(27)35)20-9-11-22(12-10-20)34-15-13-30-14-16-34/h3-12,17-19,30H,13-16H2,1-2H3
InChIKeyLKZLSZFBLJUCHE-UHFFFAOYSA-N
XLogP4.33
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide (CID 118664711) is N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide is CN(C)C(=O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)cccc12.
What is the InChIKey of N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is LKZLSZFBLJUCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O/c1-33(2)29(36)26-8-4-5-23-24(26)6-3-7-25(23)27-18-32-35-19-21(17-31-28(27)35)20-9-11-22(12-10-20)34-15-13-30-14-16-34/h3-12,17-19,30H,13-16H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 118664711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).