N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane

C24H32N6 — CID 143460938

IUPACN-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane
SMILESC=C1/C=C(C)\C=C/CCC(Nc2nccn3c(-c4cnn(C)c4)cnc23)C1.CCC
InChIInChI=1S/C21H24N6.C3H8/c1-15-6-4-5-7-18(11-16(2)10-15)25-20-21-23-13-19(27(21)9-8-22-20)17-12-24-26(3)14-17;1-3-2/h4,6,8-10,12-14,18H,2,5,7,11H2,1,3H3,(H,22,25);3H2,1-2H3/b6-4-,15-10-;
InChIKeyNQENKFYUUNXUBH-BIMYLCRYSA-N
MW404.56 g/mol
LogP5.57
Rot. Bonds3

About N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane

N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane (PubChem CID 143460938) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane.

Molecular Properties

Compound NameN-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane
PubChem CID143460938
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC NameN-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane
SMILESC=C1/C=C(C)\C=C/CCC(Nc2nccn3c(-c4cnn(C)c4)cnc23)C1.CCC
InChIInChI=1S/C21H24N6.C3H8/c1-15-6-4-5-7-18(11-16(2)10-15)25-20-21-23-13-19(27(21)9-8-22-20)17-12-24-26(3)14-17;1-3-2/h4,6,8-10,12-14,18H,2,5,7,11H2,1,3H3,(H,22,25);3H2,1-2H3/b6-4-,15-10-;
InChIKeyNQENKFYUUNXUBH-BIMYLCRYSA-N
XLogP5.57
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane?
The IUPAC name of N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane (CID 143460938) is N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane.
What is the SMILES notation for N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane?
The canonical SMILES for N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane is C=C1/C=C(C)\C=C/CCC(Nc2nccn3c(-c4cnn(C)c4)cnc23)C1.CCC.
What is the InChIKey of N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane?
The InChIKey is NQENKFYUUNXUBH-BIMYLCRYSA-N. The full InChI is InChI=1S/C21H24N6.C3H8/c1-15-6-4-5-7-18(11-16(2)10-15)25-20-21-23-13-19(27(21)9-8-22-20)17-12-24-26(3)14-17;1-3-2/h4,6,8-10,12-14,18H,2,5,7,11H2,1,3H3,(H,22,25);3H2,1-2H3/b6-4-,15-10-;.
What are the key properties of N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane?
N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane has a molecular weight of 404.56 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-5-methyl-3-methylidenecyclonona-4,6-dien-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;propane is sourced from PubChem (CID 143460938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).