N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide

C20H24N4O3 — CID 91788354

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC(c1cnn(C)c1)C1CC(O)C1)n2C
InChIInChI=1S/C20H24N4O3/c1-23-11-14(10-21-23)19(13-6-15(25)7-13)22-20(26)18-9-12-8-16(27-3)4-5-17(12)24(18)2/h4-5,8-11,13,15,19,25H,6-7H2,1-3H3,(H,22,26)
InChIKeyHVTCBBNIOUSDIJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.16
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide (PubChem CID 91788354) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide
PubChem CID91788354
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC(c1cnn(C)c1)C1CC(O)C1)n2C
InChIInChI=1S/C20H24N4O3/c1-23-11-14(10-21-23)19(13-6-15(25)7-13)22-20(26)18-9-12-8-16(27-3)4-5-17(12)24(18)2/h4-5,8-11,13,15,19,25H,6-7H2,1-3H3,(H,22,26)
InChIKeyHVTCBBNIOUSDIJ-UHFFFAOYSA-N
XLogP2.16
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 91771002
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 99946822
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 91772963
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698
2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91763580
5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide
CID 97112460
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide (CID 91788354) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NC(c1cnn(C)c1)C1CC(O)C1)n2C.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide?
The InChIKey is HVTCBBNIOUSDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23-11-14(10-21-23)19(13-6-15(25)7-13)22-20(26)18-9-12-8-16(27-3)4-5-17(12)24(18)2/h4-5,8-11,13,15,19,25H,6-7H2,1-3H3,(H,22,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 91788354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).