(4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol

C20H24N4O3 — CID 90401017

IUPAC(4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCO[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ccn2)CC1O
InChIInChI=1S/C20H24N4O3/c1-12(2)27-14-4-5-16-15(9-14)20(23-22-16)13-6-7-21-19(8-13)24-10-17(25)18(11-24)26-3/h4-9,12,17-18,25H,10-11H2,1-3H3,(H,22,23)/t17?,18-/m0/s1
InChIKeyMPIHZNXGZBBTGK-ZVAWYAOSSA-N
MW368.44 g/mol
LogP2.61
Rot. Bonds5

About (4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol

(4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 90401017) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID90401017
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCO[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ccn2)CC1O
InChIInChI=1S/C20H24N4O3/c1-12(2)27-14-4-5-16-15(9-14)20(23-22-16)13-6-7-21-19(8-13)24-10-17(25)18(11-24)26-3/h4-9,12,17-18,25H,10-11H2,1-3H3,(H,22,23)/t17?,18-/m0/s1
InChIKeyMPIHZNXGZBBTGK-ZVAWYAOSSA-N
XLogP2.61
TPSA83.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol (CID 90401017) is (4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol is CO[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ccn2)CC1O.
What is the InChIKey of (4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is MPIHZNXGZBBTGK-ZVAWYAOSSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12(2)27-14-4-5-16-15(9-14)20(23-22-16)13-6-7-21-19(8-13)24-10-17(25)18(11-24)26-3/h4-9,12,17-18,25H,10-11H2,1-3H3,(H,22,23)/t17?,18-/m0/s1.
What are the key properties of (4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol?
(4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 368.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 90401017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).