N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine

C25H29N7 — CID 121298930

IUPACN-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine
SMILESCc1ncccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
InChIInChI=1S/C25H29N7/c1-18-19(7-6-13-26-18)17-30(2)20-11-15-32(16-12-20)25-22-9-5-4-8-21(22)24(28-29-25)23-10-14-27-31(23)3/h4-10,13-14,20H,11-12,15-17H2,1-3H3
InChIKeyUAXAQOIDSSGMGT-UHFFFAOYSA-N
MW427.56 g/mol
LogP3.83
Rot. Bonds5

About N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine

N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine (PubChem CID 121298930) has the molecular formula C25H29N7 and a molecular weight of 427.56 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine
PubChem CID121298930
Molecular FormulaC25H29N7
Molecular Weight427.56 g/mol
Exact Mass427.25
IUPAC NameN-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine
SMILESCc1ncccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
InChIInChI=1S/C25H29N7/c1-18-19(7-6-13-26-18)17-30(2)20-11-15-32(16-12-20)25-22-9-5-4-8-21(22)24(28-29-25)23-10-14-27-31(23)3/h4-10,13-14,20H,11-12,15-17H2,1-3H3
InChIKeyUAXAQOIDSSGMGT-UHFFFAOYSA-N
XLogP3.83
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine (CID 121298930) is N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine is Cc1ncccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.
What is the InChIKey of N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is UAXAQOIDSSGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7/c1-18-19(7-6-13-26-18)17-30(2)20-11-15-32(16-12-20)25-22-9-5-4-8-21(22)24(28-29-25)23-10-14-27-31(23)3/h4-10,13-14,20H,11-12,15-17H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine?
N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 427.56 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 121298930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).