(2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide

C18H27N5O — CID 97212842

IUPAC(2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide
SMILESCC(C)n1ncc2ccc(NC(=O)[C@H](C)N3CCN(C)CC3)cc21
InChIInChI=1S/C18H27N5O/c1-13(2)23-17-11-16(6-5-15(17)12-19-23)20-18(24)14(3)22-9-7-21(4)8-10-22/h5-6,11-14H,7-10H2,1-4H3,(H,20,24)/t14-/m0/s1
InChIKeyGOJNQDPGEJDBFL-AWEZNQCLSA-N
MW329.45 g/mol
LogP2.19
Rot. Bonds4

About (2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide

(2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide (PubChem CID 97212842) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide
PubChem CID97212842
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide
SMILESCC(C)n1ncc2ccc(NC(=O)[C@H](C)N3CCN(C)CC3)cc21
InChIInChI=1S/C18H27N5O/c1-13(2)23-17-11-16(6-5-15(17)12-19-23)20-18(24)14(3)22-9-7-21(4)8-10-22/h5-6,11-14H,7-10H2,1-4H3,(H,20,24)/t14-/m0/s1
InChIKeyGOJNQDPGEJDBFL-AWEZNQCLSA-N
XLogP2.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea
CID 97215300
3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride
CID 119756807
4-amino-N-(1-propan-2-ylindazol-6-yl)butanamide
CID 119308053
1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 75495671
2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide
CID 75371060
3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119756804
(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide
CID 120928646
N-(1,5-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)propanamide
CID 134698028
2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide
CID 120626736
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide
CID 166404074
3-methyl-N-(1-methylindazol-6-yl)butanamide
CID 110460673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide?
The IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide (CID 97212842) is (2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide?
The canonical SMILES for (2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide is CC(C)n1ncc2ccc(NC(=O)[C@H](C)N3CCN(C)CC3)cc21.
What is the InChIKey of (2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide?
The InChIKey is GOJNQDPGEJDBFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13(2)23-17-11-16(6-5-15(17)12-19-23)20-18(24)14(3)22-9-7-21(4)8-10-22/h5-6,11-14H,7-10H2,1-4H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide?
(2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide has a molecular weight of 329.45 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide is sourced from PubChem (CID 97212842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).