N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide

C23H21N7O3 — CID 89444817

IUPACN-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(NC(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C23H21N7O3/c31-22(26-17-2-1-5-24-13-17)21-19-11-15(3-4-20(19)28-29-21)16-10-18(14-25-12-16)27-23(32)30-6-8-33-9-7-30/h1-5,10-14H,6-9H2,(H,26,31)(H,27,32)(H,28,29)
InChIKeyFDCQVKLHKYYCHL-UHFFFAOYSA-N
MW443.47 g/mol
LogP3.14
Rot. Bonds4

About N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide

N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 89444817) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide
PubChem CID89444817
Molecular FormulaC23H21N7O3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC NameN-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(NC(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C23H21N7O3/c31-22(26-17-2-1-5-24-13-17)21-19-11-15(3-4-20(19)28-29-21)16-10-18(14-25-12-16)27-23(32)30-6-8-33-9-7-30/h1-5,10-14H,6-9H2,(H,26,31)(H,27,32)(H,28,29)
InChIKeyFDCQVKLHKYYCHL-UHFFFAOYSA-N
XLogP3.14
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide (CID 89444817) is N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide is O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(NC(=O)N4CCOCC4)c3)cc12.
What is the InChIKey of N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is FDCQVKLHKYYCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c31-22(26-17-2-1-5-24-13-17)21-19-11-15(3-4-20(19)28-29-21)16-10-18(14-25-12-16)27-23(32)30-6-8-33-9-7-30/h1-5,10-14H,6-9H2,(H,26,31)(H,27,32)(H,28,29).
What are the key properties of N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(pyridin-3-ylcarbamoyl)-1H-indazol-5-yl]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 89444817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).