2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide

C23H28ClN7O3 — CID 146257779

IUPAC2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCC(=O)N1CCC(n2cc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1
InChIInChI=1S/C23H28ClN7O3/c1-29(2)8-7-21(32)30-9-5-17(6-10-30)31-13-16(12-26-31)15-3-4-18(24)19(11-15)27-22(33)20-14-34-23(25)28-20/h3-4,11-14,17H,5-10H2,1-2H3,(H2,25,28)(H,27,33)
InChIKeyILXQRUQITMSJHV-UHFFFAOYSA-N
MW485.98 g/mol
LogP3.14
Rot. Bonds7

About 2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 146257779) has the molecular formula C23H28ClN7O3 and a molecular weight of 485.98 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID146257779
Molecular FormulaC23H28ClN7O3
Molecular Weight485.98 g/mol
Exact Mass485.19
IUPAC Name2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCC(=O)N1CCC(n2cc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1
InChIInChI=1S/C23H28ClN7O3/c1-29(2)8-7-21(32)30-9-5-17(6-10-30)31-13-16(12-26-31)15-3-4-18(24)19(11-15)27-22(33)20-14-34-23(25)28-20/h3-4,11-14,17H,5-10H2,1-2H3,(H2,25,28)(H,27,33)
InChIKeyILXQRUQITMSJHV-UHFFFAOYSA-N
XLogP3.14
TPSA122.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.98
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-4H-pyran-3-carboxamide
CID 135198500
2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 146263255
2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186929
2-amino-N-[2-chloro-5-[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135198519
2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 135198585
2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186965
1-[4-[4-[4-amino-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]phenyl]pyrazol-1-yl]piperidin-1-yl]-2-(ethylamino)ethanone
CID 123975772
3-amino-1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 86269797
1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 11656708
tert-butyl 4-[4-(6-aminonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172677769
1-[4-[4-(2-chloropyrimidin-5-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 178082262
6-amino-1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-methylphenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]hexan-1-one
CID 118667411

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide (CID 146257779) is 2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide is CN(C)CCC(=O)N1CCC(n2cc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1.
What is the InChIKey of 2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ILXQRUQITMSJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O3/c1-29(2)8-7-21(32)30-9-5-17(6-10-30)31-13-16(12-26-31)15-3-4-18(24)19(11-15)27-22(33)20-14-34-23(25)28-20/h3-4,11-14,17H,5-10H2,1-2H3,(H2,25,28)(H,27,33).
What are the key properties of 2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 485.98 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146257779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).