N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide

C24H24N8O3 — CID 59569381

IUPACN-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1nccc(C(=O)Nc3cnccc3-n3cc(CN)cn3)n1)C2
InChIInChI=1S/C24H24N8O3/c1-34-21-7-16-13-31(14-17(16)8-22(21)35-2)24-27-6-3-18(30-24)23(33)29-19-11-26-5-4-20(19)32-12-15(9-25)10-28-32/h3-8,10-12H,9,13-14,25H2,1-2H3,(H,29,33)
InChIKeyFBCQJNIQKHIGQB-UHFFFAOYSA-N
MW472.51 g/mol
LogP2.31
Rot. Bonds7

About N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide

N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide (PubChem CID 59569381) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide
PubChem CID59569381
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC NameN-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1nccc(C(=O)Nc3cnccc3-n3cc(CN)cn3)n1)C2
InChIInChI=1S/C24H24N8O3/c1-34-21-7-16-13-31(14-17(16)8-22(21)35-2)24-27-6-3-18(30-24)23(33)29-19-11-26-5-4-20(19)32-12-15(9-25)10-28-32/h3-8,10-12H,9,13-14,25H2,1-2H3,(H,29,33)
InChIKeyFBCQJNIQKHIGQB-UHFFFAOYSA-N
XLogP2.31
TPSA133.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide (CID 59569381) is N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide is COc1cc2c(cc1OC)CN(c1nccc(C(=O)Nc3cnccc3-n3cc(CN)cn3)n1)C2.
What is the InChIKey of N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is FBCQJNIQKHIGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-34-21-7-16-13-31(14-17(16)8-22(21)35-2)24-27-6-3-18(30-24)23(33)29-19-11-26-5-4-20(19)32-12-15(9-25)10-28-32/h3-8,10-12H,9,13-14,25H2,1-2H3,(H,29,33).
What are the key properties of N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide?
N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(aminomethyl)pyrazol-1-yl]-3-pyridinyl]-2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59569381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).