6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline

C28H33N7 — CID 137300936

IUPAC6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline
SMILESC=C1Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cc2CN1[C@@H]1CCCN(CC2=C(C)CCN=C2)C1
InChIInChI=1S/C28H33N7/c1-18-6-8-29-14-23(18)15-34-10-4-5-24(17-34)35-16-22-12-25-27(13-26(22)31-20(35)3)32-33-28(25)21-7-9-30-19(2)11-21/h7,9,11-14,24,31H,3-6,8,10,15-17H2,1-2H3,(H,32,33)/t24-/m1/s1
InChIKeyIGDJGZOYQDSPRQ-XMMPIXPASA-N
MW467.62 g/mol
LogP4.89
Rot. Bonds4

About 6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline

6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline (PubChem CID 137300936) has the molecular formula C28H33N7 and a molecular weight of 467.62 g/mol. Its IUPAC name is 6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline.

Molecular Properties

Compound Name6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline
PubChem CID137300936
Molecular FormulaC28H33N7
Molecular Weight467.62 g/mol
Exact Mass467.28
IUPAC Name6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline
SMILESC=C1Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cc2CN1[C@@H]1CCCN(CC2=C(C)CCN=C2)C1
InChIInChI=1S/C28H33N7/c1-18-6-8-29-14-23(18)15-34-10-4-5-24(17-34)35-16-22-12-25-27(13-26(22)31-20(35)3)32-33-28(25)21-7-9-30-19(2)11-21/h7,9,11-14,24,31H,3-6,8,10,15-17H2,1-2H3,(H,32,33)/t24-/m1/s1
InChIKeyIGDJGZOYQDSPRQ-XMMPIXPASA-N
XLogP4.89
TPSA72.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline?
The IUPAC name of 6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline (CID 137300936) is 6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline.
What is the SMILES notation for 6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline?
The canonical SMILES for 6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline is C=C1Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cc2CN1[C@@H]1CCCN(CC2=C(C)CCN=C2)C1.
What is the InChIKey of 6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline?
The InChIKey is IGDJGZOYQDSPRQ-XMMPIXPASA-N. The full InChI is InChI=1S/C28H33N7/c1-18-6-8-29-14-23(18)15-34-10-4-5-24(17-34)35-16-22-12-25-27(13-26(22)31-20(35)3)32-33-28(25)21-7-9-30-19(2)11-21/h7,9,11-14,24,31H,3-6,8,10,15-17H2,1-2H3,(H,32,33)/t24-/m1/s1.
What are the key properties of 6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline?
6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline has a molecular weight of 467.62 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-[(4-methyl-2,3-dihydropyridin-5-yl)methyl]piperidin-3-yl]-7-methylidene-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazoline is sourced from PubChem (CID 137300936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).