4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide

C25H25N7O4 — CID 118173555

IUPAC4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide
SMILESCOc1ccnc(NC(=O)c2ccc(-n3nc([C@H]4CN(C(C)=O)CCO4)c4ccnc(N)c43)cc2)c1
InChIInChI=1S/C25H25N7O4/c1-15(33)31-11-12-36-20(14-31)22-19-8-10-28-24(26)23(19)32(30-22)17-5-3-16(4-6-17)25(34)29-21-13-18(35-2)7-9-27-21/h3-10,13,20H,11-12,14H2,1-2H3,(H2,26,28)(H,27,29,34)/t20-/m1/s1
InChIKeyVQRPLQZSRCNIQV-HXUWFJFHSA-N
MW487.52 g/mol
LogP2.58
Rot. Bonds5

About 4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide

4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide (PubChem CID 118173555) has the molecular formula C25H25N7O4 and a molecular weight of 487.52 g/mol. Its IUPAC name is 4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide
PubChem CID118173555
Molecular FormulaC25H25N7O4
Molecular Weight487.52 g/mol
Exact Mass487.20
IUPAC Name4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide
SMILESCOc1ccnc(NC(=O)c2ccc(-n3nc([C@H]4CN(C(C)=O)CCO4)c4ccnc(N)c43)cc2)c1
InChIInChI=1S/C25H25N7O4/c1-15(33)31-11-12-36-20(14-31)22-19-8-10-28-24(26)23(19)32(30-22)17-5-3-16(4-6-17)25(34)29-21-13-18(35-2)7-9-27-21/h3-10,13,20H,11-12,14H2,1-2H3,(H2,26,28)(H,27,29,34)/t20-/m1/s1
InChIKeyVQRPLQZSRCNIQV-HXUWFJFHSA-N
XLogP2.58
TPSA137.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide?
The IUPAC name of 4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide (CID 118173555) is 4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide?
The canonical SMILES for 4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide is COc1ccnc(NC(=O)c2ccc(-n3nc([C@H]4CN(C(C)=O)CCO4)c4ccnc(N)c43)cc2)c1.
What is the InChIKey of 4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide?
The InChIKey is VQRPLQZSRCNIQV-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25N7O4/c1-15(33)31-11-12-36-20(14-31)22-19-8-10-28-24(26)23(19)32(30-22)17-5-3-16(4-6-17)25(34)29-21-13-18(35-2)7-9-27-21/h3-10,13,20H,11-12,14H2,1-2H3,(H2,26,28)(H,27,29,34)/t20-/m1/s1.
What are the key properties of 4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide?
4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide has a molecular weight of 487.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2R)-4-acetylmorpholin-2-yl]-7-aminopyrazolo[3,4-c]pyridin-1-yl]-N-(4-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 118173555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).