1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide

C23H25N5O3 — CID 42359578

IUPAC1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C[C@@H]2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C23H25N5O3/c1-15-20(22(29)27(2)13-18-14-30-9-10-31-18)12-25-28(15)23-24-11-17-8-7-16-5-3-4-6-19(16)21(17)26-23/h3-6,11-12,18H,7-10,13-14H2,1-2H3/t18-/m1/s1
InChIKeySOGLQGIYJTZXDJ-GOSISDBHSA-N
MW419.49 g/mol
LogP2.22
Rot. Bonds4

About 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide

1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 42359578) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide
PubChem CID42359578
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C[C@@H]2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C23H25N5O3/c1-15-20(22(29)27(2)13-18-14-30-9-10-31-18)12-25-28(15)23-24-11-17-8-7-16-5-3-4-6-19(16)21(17)26-23/h3-6,11-12,18H,7-10,13-14H2,1-2H3/t18-/m1/s1
InChIKeySOGLQGIYJTZXDJ-GOSISDBHSA-N
XLogP2.22
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide
CID 45243476
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N,5-dimethylpyrazole-4-carboxamide
CID 26353014
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]-N,5-dimethylpyrazole-4-carboxamide
CID 26353012
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
CID 45173447
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 42323991
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]methanone
CID 26350679
[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 26361627
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
CID 45179791
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methylpyrazol-4-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
CID 42378655
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide
CID 26401380
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methylpyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 42452093
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 42405339

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide (CID 42359578) is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)C[C@@H]2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CC2.
What is the InChIKey of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is SOGLQGIYJTZXDJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-20(22(29)27(2)13-18-14-30-9-10-31-18)12-25-28(15)23-24-11-17-8-7-16-5-3-4-6-19(16)21(17)26-23/h3-6,11-12,18H,7-10,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide?
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 42359578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).