N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

C19H27N5O3 — CID 70314655

IUPACN-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCNC(=O)COC[C@@H]1C[C@H](NC(=O)c2nn(C(C)C)c3ccccc23)CN1
InChIInChI=1S/C19H27N5O3/c1-12(2)24-16-7-5-4-6-15(16)18(23-24)19(26)22-13-8-14(21-9-13)10-27-11-17(25)20-3/h4-7,12-14,21H,8-11H2,1-3H3,(H,20,25)(H,22,26)/t13-,14-/m0/s1
InChIKeyPVOJTDNQSVFSBF-KBPBESRZSA-N
MW373.46 g/mol
LogP0.84
Rot. Bonds7

About N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 70314655) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID70314655
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC NameN-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCNC(=O)COC[C@@H]1C[C@H](NC(=O)c2nn(C(C)C)c3ccccc23)CN1
InChIInChI=1S/C19H27N5O3/c1-12(2)24-16-7-5-4-6-15(16)18(23-24)19(26)22-13-8-14(21-9-13)10-27-11-17(25)20-3/h4-7,12-14,21H,8-11H2,1-3H3,(H,20,25)(H,22,26)/t13-,14-/m0/s1
InChIKeyPVOJTDNQSVFSBF-KBPBESRZSA-N
XLogP0.84
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (CID 70314655) is N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is CNC(=O)COC[C@@H]1C[C@H](NC(=O)c2nn(C(C)C)c3ccccc23)CN1.
What is the InChIKey of N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is PVOJTDNQSVFSBF-KBPBESRZSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12(2)24-16-7-5-4-6-15(16)18(23-24)19(26)22-13-8-14(21-9-13)10-27-11-17(25)20-3/h4-7,12-14,21H,8-11H2,1-3H3,(H,20,25)(H,22,26)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 70314655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).