N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C18H20N6O3 — CID 155154947

IUPACN-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCC1(O)CC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C18H20N6O3/c25-17(20-7-5-18(26)3-4-18)14-12-9-24(8-2-13(12)27-23-14)16-11-1-6-19-15(11)21-10-22-16/h1,6,10,26H,2-5,7-9H2,(H,20,25)(H,19,21,22)
InChIKeyLNLDRWVLWNAMMG-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.15
Rot. Bonds5

About N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 155154947) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID155154947
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCC1(O)CC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C18H20N6O3/c25-17(20-7-5-18(26)3-4-18)14-12-9-24(8-2-13(12)27-23-14)16-11-1-6-19-15(11)21-10-22-16/h1,6,10,26H,2-5,7-9H2,(H,20,25)(H,19,21,22)
InChIKeyLNLDRWVLWNAMMG-UHFFFAOYSA-N
XLogP1.15
TPSA120.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 155154947) is N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is O=C(NCCC1(O)CC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is LNLDRWVLWNAMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c25-17(20-7-5-18(26)3-4-18)14-12-9-24(8-2-13(12)27-23-14)16-11-1-6-19-15(11)21-10-22-16/h1,6,10,26H,2-5,7-9H2,(H,20,25)(H,19,21,22).
What are the key properties of N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclopropyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 155154947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).