N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide

C23H26ClN5O2 — CID 166131036

IUPACN-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)N(CC1CC1)c1ccc(-c2ccc(C(O)NCCc3cn[nH]c3)cn2)cc1Cl
InChIInChI=1S/C23H26ClN5O2/c1-15(30)29(14-16-2-3-16)22-7-5-18(10-20(22)24)21-6-4-19(13-26-21)23(31)25-9-8-17-11-27-28-12-17/h4-7,10-13,16,23,25,31H,2-3,8-9,14H2,1H3,(H,27,28)
InChIKeyUKVBRGMNZVCIPV-UHFFFAOYSA-N
MW439.95 g/mol
LogP3.71
Rot. Bonds9

About N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide

N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide (PubChem CID 166131036) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide
PubChem CID166131036
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC NameN-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)N(CC1CC1)c1ccc(-c2ccc(C(O)NCCc3cn[nH]c3)cn2)cc1Cl
InChIInChI=1S/C23H26ClN5O2/c1-15(30)29(14-16-2-3-16)22-7-5-18(10-20(22)24)21-6-4-19(13-26-21)23(31)25-9-8-17-11-27-28-12-17/h4-7,10-13,16,23,25,31H,2-3,8-9,14H2,1H3,(H,27,28)
InChIKeyUKVBRGMNZVCIPV-UHFFFAOYSA-N
XLogP3.71
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol
CID 15603476
4-[[(2S,5R)-5-[(6-chloro-3-pyridinyl)-hydroxymethyl]pyrrolidin-2-yl]methyl]-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methylbenzamide
CID 117995436
4-[[(2S,5R)-5-[(R)-(6-chloro-3-pyridinyl)-hydroxymethyl]pyrrolidin-2-yl]methyl]-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methylbenzamide
CID 117995437
4-[[5-[(6-chloro-3-pyridinyl)-hydroxymethyl]pyrrolidin-2-yl]methyl]-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methylbenzamide
CID 123831877
(E)-N-[4-(hydroxymethyl)phenyl]-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 130329009
N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide
CID 166131227
1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 53506692
1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 53506693
2-(3-chloro-4-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol
CID 80122074
(1S)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 95136929
(1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 95136931
[4-chloro-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenyl]methanol
CID 109919893

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide (CID 166131036) is N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide is CC(=O)N(CC1CC1)c1ccc(-c2ccc(C(O)NCCc3cn[nH]c3)cn2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is UKVBRGMNZVCIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-15(30)29(14-16-2-3-16)22-7-5-18(10-20(22)24)21-6-4-19(13-26-21)23(31)25-9-8-17-11-27-28-12-17/h4-7,10-13,16,23,25,31H,2-3,8-9,14H2,1H3,(H,27,28).
What are the key properties of N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide?
N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 439.95 g/mol, XLogP of 3.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[5-[hydroxy-[2-(1H-pyrazol-4-yl)ethylamino]methyl]-2-pyridinyl]phenyl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 166131036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).