N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide

C22H21N7O2 — CID 59394589

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21
InChIInChI=1S/C22H21N7O2/c30-22(26-20-10-17(27-28-20)13-1-2-13)29-8-6-14-9-15(3-4-19(14)29)31-21-16-5-7-23-11-18(16)24-12-25-21/h3-4,6,8-10,12-13,23H,1-2,5,7,11H2,(H2,26,27,28,30)
InChIKeyXESQKYLFSKQHSH-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.55
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (PubChem CID 59394589) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
PubChem CID59394589
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21
InChIInChI=1S/C22H21N7O2/c30-22(26-20-10-17(27-28-20)13-1-2-13)29-8-6-14-9-15(3-4-19(14)29)31-21-16-5-7-23-11-18(16)24-12-25-21/h3-4,6,8-10,12-13,23H,1-2,5,7,11H2,(H2,26,27,28,30)
InChIKeyXESQKYLFSKQHSH-UHFFFAOYSA-N
XLogP3.55
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (CID 59394589) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is O=C(Nc1cc(C2CC2)[nH]n1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The InChIKey is XESQKYLFSKQHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c30-22(26-20-10-17(27-28-20)13-1-2-13)29-8-6-14-9-15(3-4-19(14)29)31-21-16-5-7-23-11-18(16)24-12-25-21/h3-4,6,8-10,12-13,23H,1-2,5,7,11H2,(H2,26,27,28,30).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is sourced from PubChem (CID 59394589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).