N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide

C26H29N7O3 — CID 166738351

IUPACN-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
SMILESCN1CCCC(NC(=O)c2cc3nc(-n4cc(-c5ccccc5)cn4)nc(N4CCOCC4)c3o2)C1
InChIInChI=1S/C26H29N7O3/c1-31-9-5-8-20(17-31)28-25(34)22-14-21-23(36-22)24(32-10-12-35-13-11-32)30-26(29-21)33-16-19(15-27-33)18-6-3-2-4-7-18/h2-4,6-7,14-16,20H,5,8-13,17H2,1H3,(H,28,34)
InChIKeyONNPERUFIIOKCE-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.74
Rot. Bonds5

About N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide

N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 166738351) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
PubChem CID166738351
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC NameN-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
SMILESCN1CCCC(NC(=O)c2cc3nc(-n4cc(-c5ccccc5)cn4)nc(N4CCOCC4)c3o2)C1
InChIInChI=1S/C26H29N7O3/c1-31-9-5-8-20(17-31)28-25(34)22-14-21-23(36-22)24(32-10-12-35-13-11-32)30-26(29-21)33-16-19(15-27-33)18-6-3-2-4-7-18/h2-4,6-7,14-16,20H,5,8-13,17H2,1H3,(H,28,34)
InChIKeyONNPERUFIIOKCE-UHFFFAOYSA-N
XLogP2.74
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738354
N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738328
4-amino-N-(1-methylazepan-4-yl)-2-[4-(3-methylphenyl)pyrazol-1-yl]furo[3,2-d]pyrimidine-6-carboxamide
CID 168728110
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
4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine
CID 166738469
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
9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid
CID 168920778
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
N-cyclopropyl-7-methyl-4-morpholin-4-yl-2-(3-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738321
ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 168922531
N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine
CID 166738358

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide (CID 166738351) is N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide is CN1CCCC(NC(=O)c2cc3nc(-n4cc(-c5ccccc5)cn4)nc(N4CCOCC4)c3o2)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is ONNPERUFIIOKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-31-9-5-8-20(17-31)28-25(34)22-14-21-23(36-22)24(32-10-12-35-13-11-32)30-26(29-21)33-16-19(15-27-33)18-6-3-2-4-7-18/h2-4,6-7,14-16,20H,5,8-13,17H2,1H3,(H,28,34).
What are the key properties of N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide?
N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166738351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).