1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C30H35N9O2 — CID 46911003

IUPAC1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCc1cc(CNC(=O)c2nn(CCCN)c3c2CCc2cnc(Nc4cccc(CC(=O)N(C)C)c4)nc2-3)ccn1
InChIInChI=1S/C30H35N9O2/c1-19-14-21(10-12-32-19)17-33-29(41)27-24-9-8-22-18-34-30(36-26(22)28(24)39(37-27)13-5-11-31)35-23-7-4-6-20(15-23)16-25(40)38(2)3/h4,6-7,10,12,14-15,18H,5,8-9,11,13,16-17,31H2,1-3H3,(H,33,41)(H,34,35,36)
InChIKeyVVKMHTWFAUCCOD-UHFFFAOYSA-N
MW553.67 g/mol
LogP2.80
Rot. Bonds10

About 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 46911003) has the molecular formula C30H35N9O2 and a molecular weight of 553.67 g/mol. Its IUPAC name is 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID46911003
Molecular FormulaC30H35N9O2
Molecular Weight553.67 g/mol
Exact Mass553.29
IUPAC Name1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCc1cc(CNC(=O)c2nn(CCCN)c3c2CCc2cnc(Nc4cccc(CC(=O)N(C)C)c4)nc2-3)ccn1
InChIInChI=1S/C30H35N9O2/c1-19-14-21(10-12-32-19)17-33-29(41)27-24-9-8-22-18-34-30(36-26(22)28(24)39(37-27)13-5-11-31)35-23-7-4-6-20(15-23)16-25(40)38(2)3/h4,6-7,10,12,14-15,18H,5,8-9,11,13,16-17,31H2,1-3H3,(H,33,41)(H,34,35,36)
InChIKeyVVKMHTWFAUCCOD-UHFFFAOYSA-N
XLogP2.80
TPSA143.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.67
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 46911003) is 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cc1cc(CNC(=O)c2nn(CCCN)c3c2CCc2cnc(Nc4cccc(CC(=O)N(C)C)c4)nc2-3)ccn1.
What is the InChIKey of 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is VVKMHTWFAUCCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N9O2/c1-19-14-21(10-12-32-19)17-33-29(41)27-24-9-8-22-18-34-30(36-26(22)28(24)39(37-27)13-5-11-31)35-23-7-4-6-20(15-23)16-25(40)38(2)3/h4,6-7,10,12,14-15,18H,5,8-9,11,13,16-17,31H2,1-3H3,(H,33,41)(H,34,35,36).
What are the key properties of 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 553.67 g/mol, XLogP of 2.80, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-8-[3-[2-(dimethylamino)-2-oxoethyl]anilino]-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 46911003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).