N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide

C28H33N7O3 — CID 166738328

IUPACN-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
SMILESCc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4oc(C(=O)NC5CCCN(C)CC5)cc4n3)c2)c1
InChIInChI=1S/C28H33N7O3/c1-19-5-3-6-20(15-19)21-17-29-35(18-21)28-31-23-16-24(27(36)30-22-7-4-9-33(2)10-8-22)38-25(23)26(32-28)34-11-13-37-14-12-34/h3,5-6,15-18,22H,4,7-14H2,1-2H3,(H,30,36)
InChIKeyJFWFOVSVVSRHAX-UHFFFAOYSA-N
MW515.62 g/mol
LogP3.43
Rot. Bonds5

About N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide

N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide (PubChem CID 166738328) has the molecular formula C28H33N7O3 and a molecular weight of 515.62 g/mol. Its IUPAC name is N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
PubChem CID166738328
Molecular FormulaC28H33N7O3
Molecular Weight515.62 g/mol
Exact Mass515.26
IUPAC NameN-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
SMILESCc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4oc(C(=O)NC5CCCN(C)CC5)cc4n3)c2)c1
InChIInChI=1S/C28H33N7O3/c1-19-5-3-6-20(15-19)21-17-29-35(18-21)28-31-23-16-24(27(36)30-22-7-4-9-33(2)10-8-22)38-25(23)26(32-28)34-11-13-37-14-12-34/h3,5-6,15-18,22H,4,7-14H2,1-2H3,(H,30,36)
InChIKeyJFWFOVSVVSRHAX-UHFFFAOYSA-N
XLogP3.43
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.62
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide
CID 168728110
N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738351
4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738354
N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738424
N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 168728145
N-ethyl-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-(3-oxomorpholin-4-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738324
2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine
CID 166164425
6-[(3E)-2-methylhepta-1,3-dien-4-yl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 166164813
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
4-[2-[4-(3-methylphenyl)pyrazol-1-yl]-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidin-4-yl]morpholin-3-one
CID 166164823
4-[6-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-2-[4-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 166164372
4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine
CID 166738469

Frequently Asked Questions

What is the IUPAC name of N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide (CID 166738328) is N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide is Cc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4oc(C(=O)NC5CCCN(C)CC5)cc4n3)c2)c1.
What is the InChIKey of N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is JFWFOVSVVSRHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O3/c1-19-5-3-6-20(15-19)21-17-29-35(18-21)28-31-23-16-24(27(36)30-22-7-4-9-33(2)10-8-22)38-25(23)26(32-28)34-11-13-37-14-12-34/h3,5-6,15-18,22H,4,7-14H2,1-2H3,(H,30,36).
What are the key properties of N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 515.62 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166738328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).