N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide

C24H30N8O3 — CID 175089425

IUPACN-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide
SMILESCc1cc(Nc2cccc(N3CCN(C(=O)Nc4ccc(N5CCOCC5O)cc4)CC3)n2)n[nH]1
InChIInChI=1S/C24H30N8O3/c1-17-15-21(29-28-17)26-20-3-2-4-22(27-20)30-9-11-31(12-10-30)24(34)25-18-5-7-19(8-6-18)32-13-14-35-16-23(32)33/h2-8,15,23,33H,9-14,16H2,1H3,(H,25,34)(H2,26,27,28,29)
InChIKeyBVBQTZJXPSNMSS-UHFFFAOYSA-N
MW478.56 g/mol
LogP2.37
Rot. Bonds5

About N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide

N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 175089425) has the molecular formula C24H30N8O3 and a molecular weight of 478.56 g/mol. Its IUPAC name is N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID175089425
Molecular FormulaC24H30N8O3
Molecular Weight478.56 g/mol
Exact Mass478.24
IUPAC NameN-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide
SMILESCc1cc(Nc2cccc(N3CCN(C(=O)Nc4ccc(N5CCOCC5O)cc4)CC3)n2)n[nH]1
InChIInChI=1S/C24H30N8O3/c1-17-15-21(29-28-17)26-20-3-2-4-22(27-20)30-9-11-31(12-10-30)24(34)25-18-5-7-19(8-6-18)32-13-14-35-16-23(32)33/h2-8,15,23,33H,9-14,16H2,1H3,(H,25,34)(H2,26,27,28,29)
InChIKeyBVBQTZJXPSNMSS-UHFFFAOYSA-N
XLogP2.37
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 155798093
N-(5-methyl-1H-pyrazol-3-yl)morpholine-4-carboxamide
CID 78993786
N-(6-methyl-2-pyridinyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 154752851
N-(4-fluorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111775
ethyl 3-[4-(3-hydroxymorpholin-4-yl)anilino]-3-oxopropanoate
CID 162356326
methane;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 161231504
4-[6-(4-methylanilino)-2-pyridinyl]piperazine-1-carboxylic acid
CID 122624076
N-(4-chlorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 50947917
N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001582
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
N-[4-[4-(4-butanoylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 126705756
4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122349864

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide (CID 175089425) is N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide is Cc1cc(Nc2cccc(N3CCN(C(=O)Nc4ccc(N5CCOCC5O)cc4)CC3)n2)n[nH]1.
What is the InChIKey of N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is BVBQTZJXPSNMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O3/c1-17-15-21(29-28-17)26-20-3-2-4-22(27-20)30-9-11-31(12-10-30)24(34)25-18-5-7-19(8-6-18)32-13-14-35-16-23(32)33/h2-8,15,23,33H,9-14,16H2,1H3,(H,25,34)(H2,26,27,28,29).
What are the key properties of N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide?
N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 2.37, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxymorpholin-4-yl)phenyl]-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 175089425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).