N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C30H29N5 — CID 143251443

IUPACN-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=CC1=C(C=C)CN(C(=C)c2ccc(Nc3cc(-c4ccccc4)nc4cc(C)nn34)cc2)CC1
InChIInChI=1S/C30H29N5/c1-5-23-16-17-34(20-24(23)6-2)22(4)25-12-14-27(15-13-25)31-30-19-28(26-10-8-7-9-11-26)32-29-18-21(3)33-35(29)30/h5-15,18-19,31H,1-2,4,16-17,20H2,3H3
InChIKeyKCZDNLTXLAEMSH-UHFFFAOYSA-N
MW459.60 g/mol
LogP6.79
Rot. Bonds7

About N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143251443) has the molecular formula C30H29N5 and a molecular weight of 459.60 g/mol. Its IUPAC name is N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143251443
Molecular FormulaC30H29N5
Molecular Weight459.60 g/mol
Exact Mass459.24
IUPAC NameN-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=CC1=C(C=C)CN(C(=C)c2ccc(Nc3cc(-c4ccccc4)nc4cc(C)nn34)cc2)CC1
InChIInChI=1S/C30H29N5/c1-5-23-16-17-34(20-24(23)6-2)22(4)25-12-14-27(15-13-25)31-30-19-28(26-10-8-7-9-11-26)32-29-18-21(3)33-35(29)30/h5-15,18-19,31H,1-2,4,16-17,20H2,3H3
InChIKeyKCZDNLTXLAEMSH-UHFFFAOYSA-N
XLogP6.79
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.60
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143251443) is N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is C=CC1=C(C=C)CN(C(=C)c2ccc(Nc3cc(-c4ccccc4)nc4cc(C)nn34)cc2)CC1.
What is the InChIKey of N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KCZDNLTXLAEMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5/c1-5-23-16-17-34(20-24(23)6-2)22(4)25-12-14-27(15-13-25)31-30-19-28(26-10-8-7-9-11-26)32-29-18-21(3)33-35(29)30/h5-15,18-19,31H,1-2,4,16-17,20H2,3H3.
What are the key properties of N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 459.60 g/mol, XLogP of 6.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143251443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).