N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide

C27H29N7O3 — CID 169231379

IUPACN-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
SMILESCN(C)CCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)C12COCC1C2
InChIInChI=1S/C27H29N7O3/c1-33(2)9-10-37-21-11-20-24(30-25(21)31-26(35)27-12-18(27)14-36-15-27)23(29-16-28-20)19-13-34(3)32-22(19)17-7-5-4-6-8-17/h4-8,11,13,16,18H,9-10,12,14-15H2,1-3H3,(H,30,31,35)
InChIKeyHAEJSEGIJVRDGZ-UHFFFAOYSA-N
MW499.58 g/mol
LogP3.01
Rot. Bonds8

About N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide

N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 169231379) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound NameN-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID169231379
Molecular FormulaC27H29N7O3
Molecular Weight499.58 g/mol
Exact Mass499.23
IUPAC NameN-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
SMILESCN(C)CCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)C12COCC1C2
InChIInChI=1S/C27H29N7O3/c1-33(2)9-10-37-21-11-20-24(30-25(21)31-26(35)27-12-18(27)14-36-15-27)23(29-16-28-20)19-13-34(3)32-22(19)17-7-5-4-6-8-17/h4-8,11,13,16,18H,9-10,12,14-15H2,1-3H3,(H,30,31,35)
InChIKeyHAEJSEGIJVRDGZ-UHFFFAOYSA-N
XLogP3.01
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide (CID 169231379) is N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide is CN(C)CCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)C12COCC1C2.
What is the InChIKey of N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is HAEJSEGIJVRDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3/c1-33(2)9-10-37-21-11-20-24(30-25(21)31-26(35)27-12-18(27)14-36-15-27)23(29-16-28-20)19-13-34(3)32-22(19)17-7-5-4-6-8-17/h4-8,11,13,16,18H,9-10,12,14-15H2,1-3H3,(H,30,31,35).
What are the key properties of N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(dimethylamino)ethoxy]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 169231379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).