1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide

C19H21N5O2 — CID 20612387

IUPAC1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCOCc1cc2c(N3CCCC3C(N)=O)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C19H21N5O2/c1-26-11-13-10-14-18(21-13)22-17(12-6-3-2-4-7-12)23-19(14)24-9-5-8-15(24)16(20)25/h2-4,6-7,10,15H,5,8-9,11H2,1H3,(H2,20,25)(H,21,22,23)
InChIKeyJZFOSFPIQUGZNQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.23
Rot. Bonds5

About 1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide

1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 20612387) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID20612387
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCOCc1cc2c(N3CCCC3C(N)=O)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C19H21N5O2/c1-26-11-13-10-14-18(21-13)22-17(12-6-3-2-4-7-12)23-19(14)24-9-5-8-15(24)16(20)25/h2-4,6-7,10,15H,5,8-9,11H2,1H3,(H2,20,25)(H,21,22,23)
InChIKeyJZFOSFPIQUGZNQ-UHFFFAOYSA-N
XLogP2.23
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(1R)-1-(2,3-dihydro-1H-indol-5-yl)-2-methylpropyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 172472573
N-[2-[[2-phenyl-6-[[1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]oxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10129079
N-[2-[[6-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10174815
N-[2-[[6-[3-(4-fluorophenyl)-1-piperidin-4-yloxypropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 68566183
N-{2-[2-Phenyl-6-(piperidin-4-yloxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino}ethyl)acetamide trifluoroacetic acid salt
CID 68566227
benzyl N-[[5-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]-1H-pyrrolo[3,2-b]pyridin-2-yl]methyl]-N-methylcarbamate
CID 142504355
tert-butyl 4-[[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 154878380
methyl 4-[4-(2-phenylethyl)piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate;2,2,2-trifluoroacetic acid
CID 167940994
(2S)-1-[6-[(2-amino-2-oxoethoxy)methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 9865411
(2S)-1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 9903078
(2S)-1-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 9923138
methyl 4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 9947314

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 20612387) is 1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide is COCc1cc2c(N3CCCC3C(N)=O)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is JZFOSFPIQUGZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-11-13-10-14-18(21-13)22-17(12-6-3-2-4-7-12)23-19(14)24-9-5-8-15(24)16(20)25/h2-4,6-7,10,15H,5,8-9,11H2,1H3,(H2,20,25)(H,21,22,23).
What are the key properties of 1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 20612387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).