N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C22H26N6O3 — CID 137370804

IUPACN-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cnc(N2CCOCC2)cc1N1CCCCC1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C22H26N6O3/c29-22(20-5-4-19(31-20)16-13-24-25-14-16)26-17-15-23-21(28-8-10-30-11-9-28)12-18(17)27-6-2-1-3-7-27/h4-5,12-15H,1-3,6-11H2,(H,24,25)(H,26,29)
InChIKeyDMBHDNBPSNBWGD-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.14
Rot. Bonds5

About N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 137370804) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID137370804
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cnc(N2CCOCC2)cc1N1CCCCC1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C22H26N6O3/c29-22(20-5-4-19(31-20)16-13-24-25-14-16)26-17-15-23-21(28-8-10-30-11-9-28)12-18(17)27-6-2-1-3-7-27/h4-5,12-15H,1-3,6-11H2,(H,24,25)(H,26,29)
InChIKeyDMBHDNBPSNBWGD-UHFFFAOYSA-N
XLogP3.14
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 137370804) is N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide is O=C(Nc1cnc(N2CCOCC2)cc1N1CCCCC1)c1ccc(-c2cn[nH]c2)o1.
What is the InChIKey of N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is DMBHDNBPSNBWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c29-22(20-5-4-19(31-20)16-13-24-25-14-16)26-17-15-23-21(28-8-10-30-11-9-28)12-18(17)27-6-2-1-3-7-27/h4-5,12-15H,1-3,6-11H2,(H,24,25)(H,26,29).
What are the key properties of N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 137370804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).